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33
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5144223378
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note
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A small amount of abnormal 1:2 adduct, [4-(9-acridinyl)-9-(1-naphthyl) acridine], was also isolated, which would be produced via the intramolecular lithium transfer from the 8-position of naphthalene unit to the 4-position of acridine unit in the intermediate.
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35
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5144227381
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note
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-1
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36
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5144224174
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note
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-1.
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37
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5144231438
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note
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-1, T = 153 K. The final R value is 0.058 for 1238 independent reflections with I > 2σI and 217 parameters.
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38
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0003438540
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3rd ed. Cornell University Press Ithaca, NY
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L. Pauling The Nature of Chemical Bond 3rd ed. 1960 Cornell University Press Ithaca, NY p 260
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(1960)
The Nature of Chemical Bond
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Pauling, L.1
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39
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0031901621
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2.38 Å in the kinetically stabilized [1.1]paracyclophane derivative: H. Kawai, T. Suzuki, M. Ohkita, and T. Tsuji Angew. Chem., Int. Ed. 37 1998 817
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(1998)
Angew. Chem., Int. Ed.
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Kawai, H.1
Suzuki, T.2
Ohkita, M.3
Tsuji, T.4
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43
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5144225803
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note
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-1.
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44
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5144231259
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note
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2+, which prevents the face-to-face overlap between the two cation units.
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45
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0035815123
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Strong C-H acidity of the 9-methyl group directly bound to the 10-methylacridinium unit clearly shows that the considerable positive charge on the C9 of acridinium: H. Suzuki, and Y. Tanaka J. Org. Chem. 66 2001 2227
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Suzuki, H.1
Tanaka, Y.2
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47
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5144228216
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note
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Previously observed value in A [1.670(3) (Ref. 10a)] is slightly smaller than that in 1. Typical values for the dispiro-type HPEs with a 9,10-dihydrophenanthrene skeleton are in the range of 1.61-1.65 Å (Ref. 10a). On the other hand, several 1,1,2,2-tetraarylbenzocyclobutenes exhibit longer bond lengths (1.71-1.73 Å) than the present molecule (Ref. c,d,e,f)
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49
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0004133516
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Gaussian, Pittsburg, PA
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Gaussian98. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; 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.; 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, Pittsburg, PA, 1998
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(1998)
Gaussian98
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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, 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
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
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