-
5
-
-
0006299495
-
-
(d) Cram, D. J.; Bauer, R. H.; Allinger, N. L.; Reeves, R. A.; Wechter, W. J.; Heilbronner, E. J. Am. Chem. Soc. 1959, 81, 5977-5983.
-
(1959)
J. Am. Chem. Soc.
, vol.81
, pp. 5977-5983
-
-
Cram, D.J.1
Bauer, R.H.2
Allinger, N.L.3
Reeves, R.A.4
Wechter, W.J.5
Heilbronner, E.6
-
10
-
-
0000153048
-
-
(c) Bodwell, G. J. Angew. Chem. 1996, 108, 2221-2224; Angew. Chem., Int. Ed. Engl. 1996, 35, 2085-2088.
-
(1996)
Angew. Chem.
, vol.108
, pp. 2221-2224
-
-
Bodwell, G.J.1
-
11
-
-
0029820217
-
-
(c) Bodwell, G. J. Angew. Chem. 1996, 108, 2221-2224; Angew. Chem., Int. Ed. Engl. 1996, 35, 2085-2088.
-
(1996)
Angew. Chem., Int. Ed. Engl.
, vol.35
, pp. 2085-2088
-
-
-
14
-
-
0000367023
-
-
(b) Hope, H.; Bernstein, J.; Trueblood, K. N. Acta Crystallogr., Sect. B 1972, 28, 1733-1743.
-
(1972)
Acta Crystallogr., Sect. B
, vol.28
, pp. 1733-1743
-
-
Hope, H.1
Bernstein, J.2
Trueblood, K.N.3
-
15
-
-
0008791889
-
-
(c) Lonsdale, K.; Milledge, H. J.; Rao, K. V. K. Proc. R. Soc. London A 1960, 255, 82-100.
-
(1960)
Proc. R. Soc. London A
, vol.255
, pp. 82-100
-
-
Lonsdale, K.1
Milledge, H.J.2
Rao, K.V.K.3
-
17
-
-
0001806412
-
-
For the geometries of metal-complexed hydrocarbons 2 and 3, see also: (a) Albrecht, K.; Hockless, D. C. R.; König, B.; Neumann, H.; Bennett, M. A.; de Meijere, A. J. Chem. Soc., Chem. Commun. 1996, 543-544.
-
(1996)
J. Chem. Soc., Chem. Commun.
, pp. 543-544
-
-
Albrecht, K.1
Hockless, D.C.R.2
König, B.3
Neumann, H.4
Bennett, M.A.5
De Meijere, A.6
-
18
-
-
0000489862
-
-
(b) de Meijere, A.; Reiser, O.; Stöbbe, M.; Kopf, J.; Adiwidjaja, G.; Sinnwell, V.; Khan, S. I. Acta Chem. Scand. A 1988, 42, 611-625.
-
(1988)
Acta Chem. Scand. A
, vol.42
, pp. 611-625
-
-
De Meijere, A.1
Reiser, O.2
Stöbbe, M.3
Kopf, J.4
Adiwidjaja, G.5
Sinnwell, V.6
Khan, S.I.7
-
19
-
-
0000220484
-
-
For the computational results concerning the geometry of [2.2]paracyclophane (1) at different levels of theory, see: (c) Henseler, D.; Hohlneicher, G. J. Phys. Chem. A 1998, 102, 10828-10833.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 10828-10833
-
-
Henseler, D.1
Hohlneicher, G.2
-
20
-
-
0007582063
-
-
The diene 3 reacts more rapidly with diazomethane/copper(I) chloride than 1. (a) Näder, R.; de Meijere, A. Angew. Chem. 1976, 88, 153-154; Angew. Chem., Int. Ed. Engl. 1976, 15, 166-167.
-
(1976)
Angew. Chem.
, vol.88
, pp. 153-154
-
-
Näder, R.1
De Meijere, A.2
-
21
-
-
84982474919
-
-
The diene 3 reacts more rapidly with diazomethane/copper(I) chloride than 1. (a) Näder, R.; de Meijere, A. Angew. Chem. 1976, 88, 153-154; Angew. Chem., Int. Ed. Engl. 1976, 15, 166-167.
-
(1976)
Angew. Chem., Int. Ed. Engl.
, vol.15
, pp. 166-167
-
-
-
22
-
-
0141806916
-
-
Under the conditions, under which 3 undergoes cycloaddition of singlet oxygen, 1 is completely inert: (b) Erden, I.; Gölitz, P.; Näder, R.; de Meijere, A. Angew. Chem. 1981, 93, 605-606; Angew. Chem., Int. Ed. Engl. 1981, 20, 583-585.
-
(1981)
Angew. Chem.
, vol.93
, pp. 605-606
-
-
Erden, I.1
Gölitz, P.2
Näder, R.3
De Meijere, A.4
-
23
-
-
84985616472
-
-
Under the conditions, under which 3 undergoes cycloaddition of singlet oxygen, 1 is completely inert: (b) Erden, I.; Gölitz, P.; Näder, R.; de Meijere, A. Angew. Chem. 1981, 93, 605-606; Angew. Chem., Int. Ed. Engl. 1981, 20, 583-585.
-
(1981)
Angew. Chem., Int. Ed. Engl.
, vol.20
, pp. 583-585
-
-
-
24
-
-
24844446268
-
-
Dissertation, Universität Hamburg
-
The [4+2] cycloaddition of N-phenyltriazolinedione (PTAD) to 3 proceeds at ambient temperature within 8 h, see: (c) Höfer, J. Dissertation, Universität Hamburg, 1989.
-
(1989)
-
-
Höfer, J.1
-
25
-
-
0001494197
-
-
The [4+2] cycloaddition of PTAD to 1 requires 138 h at ambient temperature, see: (d) Kleinschroth, J.; Hopf, H. Angew. Chem. 1982, 94, 485-496; Angew. Chem., Int. Ed. Engl. 1982, 21, 469-480.
-
(1982)
Angew. Chem.
, vol.94
, pp. 485-496
-
-
Kleinschroth, J.1
Hopf, H.2
-
26
-
-
84981919255
-
-
The [4+2] cycloaddition of PTAD to 1 requires 138 h at ambient temperature, see: (d) Kleinschroth, J.; Hopf, H. Angew. Chem. 1982, 94, 485-496; Angew. Chem., Int. Ed. Engl. 1982, 21, 469-480.
-
(1982)
Angew. Chem., Int. Ed. Engl.
, vol.21
, pp. 469-480
-
-
-
29
-
-
84861304438
-
-
Stöbbe, M.; Reiser, O.; Näder, R.; de Meijere, A. Chem. Ber. 1987, 120, 1667-1674.
-
(1987)
Chem. Ber.
, vol.120
, pp. 1667-1674
-
-
Stöbbe, M.1
Reiser, O.2
Näder, R.3
De Meijere, A.4
-
30
-
-
0000331096
-
-
Beckhaus, H.-D.; Rüchardt, C.; Kozhushkov, S. I.; Belov, V. N.; Verevkin, S. P.; de Meijere, A. J. Am. Chem. Soc. 1995, 117, 11854-11860.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 11854-11860
-
-
Beckhaus, H.-D.1
Rüchardt, C.2
Kozhushkov, S.I.3
Belov, V.N.4
Verevkin, S.P.5
De Meijere, A.6
-
38
-
-
0001049097
-
-
Shieh, C.-F.; McNally, D.; Boyd, R. H. Tetrahedron 1969, 25, 3653-3665.
-
(1969)
Tetrahedron
, vol.25
, pp. 3653-3665
-
-
Shieh, C.-F.1
McNally, D.2
Boyd, R.H.3
-
39
-
-
0005700510
-
-
v. Ragué Schleyer, P.; Williams, J. E.; Blanchard, K. R. J. Am. Chem. Soc. 1970, 92, 2377-2386.
-
(1970)
J. Am. Chem. Soc.
, vol.92
, pp. 2377-2386
-
-
Ragué Schleyer, V.P.1
Williams, J.E.2
Blanchard, K.R.3
-
42
-
-
0345040023
-
-
note
-
-3. Crystallographic data (excluding structure factors) for the hydrocarbon 2 have been deposited as supplementary publication no. CCDC-215005 (measurement at 100 K) and CCDC-215006 (measurement at 293 K) with the Cambridge Crystallographic Data Centre. Copies of the data can be obtained free of charge on application to The Director, CCDC, 12 Union Road, Cambridge CB2 1EZ, UK (Fax: (+44)1223-336-033; E-mail: deposit@ccdc.cam.ac.uk).
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-
-
-
43
-
-
0344177363
-
-
note
-
The X-ray crystal structure of [2.2]paracyclophane-1,9-diene (3) was recently reinvestigated with higher precision at low temperature (133 K): Negru, M.; Jones, P. G.; Hopf, H., unpublished results. Cf.: Negru, M. Diplomarbeit, Technische Universität Braunschweig, 2003. The authors are grateful to Professor Dr. Henning Hopf, TU Braunschweig, Germany, for disclosing to us the atomic coordinates of 3, enabling us to calculate the values of angles α and β in 3.
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-
-
-
44
-
-
0344177362
-
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note
-
For compounds 2 and 3, the values of angles α, α′, β, and β′ were calculated from atomic coordinates available elsewhere4d.21 or obtained in this work. The values of angles α and β for paracyclophane (1) were taken from its reinvestigated X-ray crystal structure analysis.4b However, these values differ significantly from those calculated by us for 1 using a set of atomic coordinates taken from an earlier crystallographic investigation4c (α = 14.1°, β = 7.2° at ambient temperature of α = 14.0®, β = 8.9° (at 93 K)).
-
-
-
-
45
-
-
0032514525
-
-
Cyranski, M. K.; Krygowski, T. M.; Bird, C. W. Tetrahedron 1998, 54, 9711-9720.
-
(1998)
Tetrahedron
, vol.54
, pp. 9711-9720
-
-
Cyranski, M.K.1
Krygowski, T.M.2
Bird, C.W.3
-
46
-
-
0345040021
-
-
Roth, W. R.; Hopf, H.; de Meijere, A.; Hunold, F.; Börner, S.; Neumann, M.; Wasser, T.; Szurowski, J.; Mlynek, C. Liebigs Ann. 1996, 2141-2154.
-
(1996)
Liebigs Ann.
, pp. 2141-2154
-
-
Roth, W.R.1
Hopf, H.2
De Meijere, A.3
Hunold, F.4
Börner, S.5
Neumann, M.6
Wasser, T.7
Szurowski, J.8
Mlynek, C.9
-
48
-
-
0000428305
-
-
Beckhaus, H.-D.; Rüchardt, C.; Smisek, M. Thermochim. Acta 1984, 79, 149-159.
-
(1984)
Thermochim. Acta
, vol.79
, pp. 149-159
-
-
Beckhaus, H.-D.1
Rüchardt, C.2
Smisek, M.3
-
49
-
-
0003075914
-
-
Rossini, F. D., Ed.; Interscience: New York
-
Hubbard, W. N.; Scott, D. W.; Waddington, G. In Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience: New York, 1956; pp 75-128.
-
(1956)
Experimental Thermochemistry
, pp. 75-128
-
-
Hubbard, W.N.1
Scott, D.W.2
Waddington, G.3
-
50
-
-
0032483748
-
-
Verevkin, S. P.; Beckhaus, H.-D.; Rüchardt, C.; Haag, R.; Kozhushkov, S. I.; Zywietz, K. T.; de Meijere, A.; Jiao, H.; v. Ragué Schleyer, P. J. Am. Chem. Soc. 1998, 120, 11130-11135.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 11130-11135
-
-
Verevkin, S.P.1
Beckhaus, H.-D.2
Rüchardt, C.3
Haag, R.4
Kozhushkov, S.I.5
Zywietz, K.T.6
De Meijere, A.7
Jiao, H.8
Ragué Schleyer, V.P.9
-
51
-
-
84982055327
-
-
Beckhaus, H.-D.; Kratt, G.; Lay, K.; Geiselmann, J.; Rüchardt, C.; Kitschke, B.; Lindner, H. J. Chem. Ber. 1980, 113, 3441-3455.
-
(1980)
Chem. Ber.
, vol.113
, pp. 3441-3455
-
-
Beckhaus, H.-D.1
Kratt, G.2
Lay, K.3
Geiselmann, J.4
Rüchardt, C.5
Kitschke, B.6
Lindner, H.J.7
-
52
-
-
34250082503
-
-
Chickos, J. S.; Hosseini, S.; Hesse, D. G.; Liebman, J. F. Struct. Chem. 1993, 4, 271-278.
-
(1993)
Struct. Chem.
, vol.4
, pp. 271-278
-
-
Chickos, J.S.1
Hosseini, S.2
Hesse, D.G.3
Liebman, J.F.4
-
54
-
-
0024821263
-
-
Allinger, N. L.; Yuh, Y. H.; Lii, J.-H. J. Am. Chem. Soc. 1989, 111, 1, 8551-8575.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, Issue.1
, pp. 8551-8575
-
-
Allinger, N.L.1
Yuh, Y.H.2
Lii, J.-H.3
-
55
-
-
0004127287
-
-
Wave function Inc., 18401 Von Karman Ave Suite 370 Irvine CA 92612
-
PC SPARTAN PRO 1.0.5; Wave function Inc., 18401 Von Karman Ave., Suite 370. Irvine, CA 92612.
-
PC SPARTAN PRO 1.0.5
-
-
-
56
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.7
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
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