Conformational Analysis of Macrocyclic Ether Ligands. I. 1,4,7,10-Tetraoxacyclododecane and 1,4,7,10-Tetrathiacyclododecane

Acta Crystallographica Section B: Structural Science

Volumn 53, Issue 2, 1997, Pages 241-251

  Raithby, P R ^a   Shields, G P ^a   Allen, F H ^b  

^a Department of Chemistry ^*  (United Kingdom)

^b CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001607086     PISSN: 01087681     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108768196013663     Document Type: Article

References (61)

1. Allen, F. H. & Fortier, S. (1993). Acta Cryst. B49, 1021-1031.
2. Allen, F. H. & Taylor, R. (1991). Acta Cryst. B47, 404-412.
3. Allen, F. H., Davies, J. E., Galloy, J. J., Johnson, O., Kennard, O., Macrae C. F., Mitchell, E. M., Mitchell, G. F., Smith, J. M. & Watson, D. G. (1991). J. Chem. Inf. Comp. Sci. 31, 187-204.
4. Allen, F. H., Doyle, M. J. & Auf der Heyde, T. P. E. (1991). Acta Cryst. B47, 412-424.
5. Allen, F. H., Doyle, M. J. & Taylor, R. (1991a). Acta Cryst. B47, 29-40.
6. Allen, F. H., Doyle, M. J. & Taylor, R. (1991b). Acta Cryst. B47, 41-49.
7. Allen, F. H., Doyle, M. J. & Taylor, R. (1991c). Acta Cryst. B47, 50-61.
8. Allen, F. H., Howard, J. A. K & Pitchford, N. A. (1993). Acta Cryst. B49, 910-928.
9. Allinger, N. L. (1977). J. Am. Chem. Soc. 99, 8127-8134.
10. Allinger, N. L. & Yuh, Y. H. (1981). QCPE. Bulletin of the Chemistry Program Exchange. Department of Chemistry, Indiana University, Bloomington, Indiana, USA.
11. Auf der Heyde, T. P. E. (1990). J. Chem. Educ. 67, 461-469.
12. Batchelor, R. J., Einstein, F. W. B., Gay, I. D., Gu, J.-H. & Pinto, B. M. (1991). J. Organomet. Chem. 411, 147-157.
13. Beech, J., Cragg, P. J. & Drew, M. G. B. (1994). J. Chem. Soc. Dalton Trans. pp. 719-729.
14. Blake, A. J. & Schröder, M. (1990). Adv. Inorg. Chem. 35, 2-80.
15. Blake, A. J., Gould, R. O., Halcrow, M. A., Schröder, M. (1993). Acta Cryst. B49, 773-779.
16. Blaschette, A., Nagel, K.-H. & Jones, P. G. (1994). Z. Naturforsch. Teil B, 49, 36-42.
17. Boer, F. P., Neuman, M. A., van Remoortere, F. P. & Steiner, E. C. (1974). Inorg. Chem. 13, 2826-2834.
18. Bovill, M. J., Chadwick, D. J., Sutherland, I. O. & Watkin, D. (1980). J. Chem. Soc. Perkin Trans. II, pp. 1529-1543.
19. Cambridge Structural Database (1992). CSD User's Manual. Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, England.
20. Cambridge Structural Database (1994). CSD User's Manual. Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, England.
21. Cambridge Structural Database (1995). CSD User's Manual. Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, England.
22. Chatfield, C. & Collins, A. J. (1980). Introduction to Multivariate Analysis. London: Chapman and Hall.
23. Columbia University (1994). MacroModel Interactive Molecular Modeling System. Version 4.5. Department of Chemistry, Columbia University, New York, USA.
24. Cooper, S. R. (1988). Acc. Chem. Res. 21, 141-146.
25. Cram, D. J. (1988). Angew. Chem. Int. Ed. Engl. 27, 1009-1120.
26. Dale, J. (1963). J. Chem. Soc. pp. 93-111.
27. Dale, J. (1973). Acta Chem. Scand. 27, 1115-1129.
28. Desper, J. M., Powell, D. R. & Gellman, S. H. (1990). J. Am. Chem. Soc. 112, 4321-4324.
29. Dunitz, J. D. & Shearer, H. M. M. (1960). Helv. Chim. Acta, 43, 18-35.
30. Fausto, R., Teixeira-Dias, J. J. C. & Carey, P. R. (1987). J. Mol. Struct. 159, 137-152.
31. Fyles, T. M. & Gandour, R. D. (1992). J. Incl. Phenom. 12, 3291-3298.
32. Groth, P. (1978). Acta Chem. Scand. Ser. A, 32, 279-280.
33. Hancock, R. D. (1990). Acc. Chem. Res. 23, 253-257.
34. Hay, B. P., Rustad, J. R. & Hostetler, C. J. (1993). J. Am. Chem. Soc. 115, 11158-11164.
35. Jarvis, R. A. & Patrick, E. A. (1973). IEEE Trans. Comput. 22, 1025-1034.
36. Juaristi, E. (1979). J. Chem. Educ. 56, 438-441.
37. Krotz, A. H., Kuo, L. Y. & Barton, J. K. (1993). Inorg. Chem. 32, 5963-5974.
38. Lehn, J.-M. (1988). Angew. Chem. Int. Ed. Engl. 27, 90-112.
39. Lindoy, L. F. (1989). The Chemistry of Macrocyclic Ligand Complexes. Cambridge University Press.
40. Lockhart, J. C., Mousley, D. P., Stuart Hill, M. N., Tomkinson, N. P., Teixidor, F., Almajano, M. P., Escriche, L., Casabo, F. J., Sillanpää, R. & Kivekäs, R. (1992). J. Chem. Soc. Dalton Trans. pp. 2889-2897.
41. Marsh, R. E. (1986). Acta Cryst. B42, 193-198.
42. McDowell, R. S. (1965). J. Mol. Spectrosc. 17, 365-367.
43. Mohamadi, F., Richards, N. G. J., Guida, W. C., Liskamp, R., Lipton, M., Caufield, C., Chang, G., Hendrickson, T. & Still, W. C. (1990). J. Comput. Chem. 11, 440-467.
44. Murray-Rust, P. & Bland, R. (1978). Acta Cryst. B34, 2527-2533.
45. Murray-Rust, P. & Raftery, J. (1985a). J. Mol. Graph. 3, 50-59.
46. Murray-Rust, P. & Raftery, J. (1985b). J. Mol. Graph. 3, 60-69.
47. Pedersen, C. J. (1988). Angew. Chem. Int. Ed. Engl. 27, 1021-1027.
48. Pett, V. B., Diaddario, L. L., Dockal, E. R., Corfield, P. W., Ceccarelli, C., Glick, M. D., Ochrymowycz, L. A. & Rorabacher, D. B. (1983). Inorg. Chem. 22, 3661-3670.
49. Podo, F., Némethy, G., Indovina, P. L., Radics, L. & Viti, V. (1974). Mol. Phys. 27, 521-559.
50. Remoortere, F. P. van & Boer, F. P. (1974). Inorg. Chem. 13, 2071-2078.
51. Remoortere, F. P. van, Boer, F. P. & Steiner, E. C. (1975). Acta Cryst. B31, 1420-1426.
52. Robinson, G. H. & Sangokoya, S. A. (1988). J. Am. Chem. Soc. 110, 1494-1497.
53. Rogers, R. D. & Kurihara, L. K. (1986). Inorg. Chim. Acta, 116, 171-177.
54. Rogers, R. D., Rollins, A. N. & Benning, M. M. (1988). Inorg. Chem. 27, 3826-3835.
55. Samuel, G. & Weiss, R. (1969). Tetrahedron Lett. pp. 2803-2806.
56. Setzer, W. N., Tang, Y., Grant, G. J. & Van Derveer, D. G. (1991). Inorg. Chem. 30, 3652-3656.
57. Uiterwijk, J. W. H. M., Harkema, S., van de Waal, B. W., Göbel, F. & Nibbeling, H. T. M. (1983). J. Chem. Soc. Perkin Trans. 2, pp. 1843-1855.
58. Watzky, M. A., Waknine, D., Heeg, M. J., Endicott, J. F. & Ochrymowyzc, L. A. (1993). Inorg. Chem. 32, 4882-4888.
59. Willey, G. R., Lakin, M. T. & Alcock, N. W. (1992). J. Chem. Soc. Dalton Trans. pp. 591-596.
60. Wolf, R. E. Jr, Hartman, J. R., Storey, J. M. E, Foxman, B. M. & Cooper, S. R. (1987). J. Am. Chem. Soc. 109, 4328-4335.
61. Zefirov, N. S. (1977). Tetrahedron, 33, 3193-3202.