Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C 4H10O)

Acta Crystallographica Section B: Structural Science

Volumn 62, Issue 4, 2006, Pages 599-605

  McGregor, Pamela A ^a   Allan, David R ^a   Parsons, Simon ^a   Clark, Stewart J ^b  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b DURHAM UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; ATMOSPHERIC PRESSURE; CONFORMATIONS; CRYSTAL STRUCTURE; ENTHALPY; PROBABILITY DENSITY FUNCTION; X RAY DIFFRACTION;

FLATTENING; HELICAL CATEMER; HEXAMERS; TERTIARY BUTYL ALCOHOL;

OLIGOMERS;

EID: 33746081750     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768106015424     Document Type: Article

References (30)

1. Allan, D. R. & Clark, S. J. (1999). Phys. Rev. B, 60, 6328-6334.
2. Allan, D. R., Clark, S. J., Brugmans, M. J. P., Ackland, G. J. & Vos, W. L. (1998). Phys. Rev. B, 58, R11809-R11812.
3. Allan, D. R., Clark, S. J., Dawson, A., McGregor, P. A. & Parsons, S. (2002). Acta Cryst. E58, 1018-1024.
4. Allan, D. R., Parsons, S. & Teat, S. J. (2001). J. Synchrotron Rad. 8, 10-17.
5. Atkins, W. R. G. (1911). J. Chem. Soc. 99, 10-23.
6. Boese, R. & Nussbaumer, M. (1994). Correlations, Transformations and Interactions in Organic Chemistry, IUCr Crystallographic Symposia, Vol. 7, edited by D. W. Jones & A. Katrusiak. Oxford University Press.
7. Brock, C. P. & Duncan, L. L. (1994). Chem. Mater. 6, 1307-1312.
8. Finger, L. W. & King, H. (1978). Am. Mineral. 63, 337-342.
9. Francis, G. P. & Payne, M. C. (1990). J. Phys. Condens. Matter, 2, 4395-4404.
10. McGregor, P. A., Allan, D. R., Parsons, S. & Pulham, C. R. (2005). Acta Cryst. B61, 449-454.
11. Merrill, L. & Bassett, W. A. (1974). Rev. Sci. Instrum. 45, 290-294.
12. Moggach, S. A., Allan, D. R., Parsons, S., Sawyer, L. & Warren, J. E. (2005). J. Synchrotron Rad. 12, 598-607.
13. Monkhorst, H. J. & Pack, J. D. (1976). Phys. Rev. B, 13, 5188-5192.
14. Neu, W. J.-M. (1968). C. R. Acad. Sci. Paris Ser. C, 267, 1025-1028.
15. Getting, F. L. (1963). J. Phys. Chem. 67, 2757-2761.
16. Oswald, I. D. H., Allan, D. R., Day, G. M., Motherwell, W. D. S. & Parsons, S. (2005). Cryst. Growth Des. 5, 1055-1071.
17. Oswald, I. D. H., Allan, D. R., Motherwell, W. D. S. & Parsons, S. (2005). Acta Cryst. B61, 69-79.
18. Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. A. & Joannopoulos, J. D. (1992). Rev. Mod. Phys. 64, 1045-1097.
19. Perdew, J. P. & Wang, Y. (1992). Phys. Rev. B, 45, 13244-13249.
20. Perdew, J. P. & Zunger, A. (1981). Phys. Rev. B, 23, 5048-5079.
21. Sciesinska, E. & Sciesinska, J. (1980). Acta. Phys. Pol. A, 58, 361-368.
22. Segall, M. D., Lindan, P. J. D., Probert, M. J., Pickard, C. J., Hasnip, P. J., Clark, S. J. & Payne, M. C. (2002). J. Phys. Condens. Matter, 14, 2717-2744.
23. Sheldrick, G. M. (1997). SHELXL97. University of Göttingen, Germany.
24. Siemens (1993). SMART. Siemens Industrial Autom. Inc., Madison, Wisconsin, USA.
25. Siemens (1995). SAINT. Siemens Industrial Autom. Inc., Madison, Wisconsin, USA.
26. Sparks, R. A. (1999). GEMINI. Bruker AXS Inc., Madison, Wisconsin, USA.
27. Steininger, R., Bilgram, J. H., Gramlich, V. & Petter, W. (1989). Z. Kristallogr. 187, 1-13.
28. Vanderbilt, D. (1990). Phys. Rev. B, 41, 7892-7895.
29. Vos, W. L., Finger, L. W., Hemley, R. J., Hu, J. Z., Mao, H. K. & Schouten, J. A. (1992). Nature (London), 358, 46.
30. Vos, W. L., Finger, L. W., Hemley, R. J. & Mao, H. (1993). Phys. Rev. Lett. 71, 3150-3153.