Structure prediction based on hydrophobic to hydrophilic volume ratios in small molecule amphiphilic organic crystals

Jiegou Huaxue

Volumn 21, Issue 6, 2002, Pages 592-596

  Xu, Zheng Tao ^a   Lee, Stephen ^a   Lee, Andrea Jeannette ^a   Lobkovsky, Emil B ^a   Emmott, Nathan ^a  

^a Department of Obstetrics Gynecology   (United States)

Author keywords

Amphiphilic system; Minimal surface; Organic crystal; Structure prediction

Indexed keywords

EID: 33751301983     PISSN: 02545861     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (22)

1. Dunitz, J.; Bernstein, J. Acc. Chem. Res. 1995, 28, 193-200.
2. Braga, D.; Grepioni, E; Desiraju, G. R. Chem. Rev. 1998, 98, 1375-1405.
3. Gavezzotti, A. In Structure Correlation, Vol. 2; Bürgi, H. B.; Dunitz, J. Eds. VCH: Weinheim 1994.
4. Lommerse, J. P. M.; Motherwell, W. D. S.; Ammon, H. L.; Dunitz, J. D.; Gavezzotti, A.; Hofmann, D. W. M.; Leusen, F. J. J.; Mooij, W. T. M.; Price, S. L.; Schweizer, B.; Schmidt, M. U.; van Eijck, B. P.; Verwer, P.; Williams, D. E. Acta Crystallogr. 2000, B56, 697-714.
5. Gavezzotti, A. Acc. Chem. Res. 1994, 27, 309-314.
6. Maddox, J. Nature (London) 1988, 335, 201-201.
7. Miller, S. A.; Kim, E.; Gray, D. H.; Gin. D. L. Angew. Chem., Int. Ed. Engl. 1999, 38, 3022-3026.
8. Burkett, S. L.; Sims, S. D.; Mann, S. Chem. Commun. 1996, 1367-1368.
9. Holland, B. T.; Isbester, P. K.; Blanford, C. F.; Munson, E. J.; Stein, A. J. Am. Chem. Soc. 1997, 119, 6796-6803.
10. Cauvel, A.; Renard, G.; Brunel, D. J. Org. Chem. 1997, 62, 749-751.
11. Feng, X.; Fryxell, G. E.; Wang, L. Q.; Kim, A. Y.; Liu, J.; Kemner, K. M. Science 1997, 276, 923-926.
12. Inagaki, S.; Guan, S.; Fukushima, Y.; Ohsuna, T.; Terasaki, O. J. Am. Chem. Soc. 1999, 121, 9611-9614.
13. Asefa, T.; MacLachlan, M. J.; Coombs, N.; Ozin, G. A. Nature (London) 1999, 402, 867-871.
14. Thomas, E. L.; Lescanec, R. L. Phase Morphology in Block Copolymer Systems. In Self-order and Form in Polymeric Materials. Keller, A.; Warner, M. Eds. Chapman & Hall: London 1995, Chapter 10.
15. Hamley, I. W. The Physics of Block Copofymers; Oxford University Press: New York 1998.
16. Diele, S.; Brand, P.; Sackmann, H. Mol. Cryst. Liq. Cryst. 1972, 17, 163-169.
17. Khandpur, A. K.; Föster, S.; Bates, F. S.; Hamley, I. W.; Ryan, A. J.; Bras, W.; Almdal, K.; Mortensen, K. Macromolecules 1995, 28, 8796-8806.
18. von Schnering, H. G.; Nesper, R. Angew. Chem., Int. Ed. Engl. 1987, 26, 1059-1080.
19. Anderson, S. Angew. Chem., Int. Ed. Engl. 1983, 22, 69-170.
20. Xu, Z.; Kiang, Y.-H.; Lee, S.; Lobkovsky, E.; Emmott, N. J. Am. Chem. Soc. 2000, 122, 8376-8391.
21. Bondi, A. J. Phys. Chem. 1964, 68, 441-451.
22. 2 Chemical Simulations Software Package; Molecular Simulation Inc.; San Diego, CA 1998.