Towards the solution of organic crystal structures by powder diffraction

Materials Science Forum

Volumn 321-324 I, Issue , 2000, Pages 40-45

  Pagola, S ^a   Stephens, P W ^a  

^a STONY BROOK UNIVERSITY   (United States)

Author keywords

Crystal Structure Solution; High Resolution X Ray Powder Diffraction; Organic Crystal Structures; Simulated Annealing

Indexed keywords

CONFORMATIONS; CRYSTAL ORIENTATION; KETONES; METHANOL; MOLECULAR STRUCTURE; NITROGEN COMPOUNDS; SIMULATED ANNEALING; SYNCHROTRON RADIATION; X RAY POWDER DIFFRACTION;

AMINODIMETOXYACETOPHENONE; AMINOQUINOLINE; BENZENEMETHANOL;

MOLECULAR CRYSTALS;

EID: 18144442669     PISSN: 02555476     EISSN: None     Source Type: Book Series    
DOI: 10.4028/www.scientific.net/msf.321-324.40     Document Type: Article

References (19)

1. K.D.M. Harris and M. Tremayne, Chem. Mater. 8, 2554 (1996).
2. G. Bricogne, C. J. Gilmore, Acta Crystallogr. A46, 284 (1990).
3. P.J.M van Laarhoven, E.H.L. Aart, Simulated Annealing: Theory and applications, D. Riedel Publishing: Holland, 1987.
4. E. Aarts and J. Korst, Simulated Annealing and Boltzmann Machines, J. Wiley and Sons, New York (1989).
5. N. Masciocchi, R. Bianchi, P. Cairati, G. Mezza, T. Pilati and A. Sironi, J. Applied Crystallogr. 27, 426 (1994).
6. H. R. Karfunkel and R. J. Gdanitz, J. Comput. Chem. 13, 1171 (1992).
7. J. R. Holden, Z. Du and H. L. Ammon, J. Comput. Chem. 14, 422 (1993).
8. D. E. Williams, Acta Cryst. A52, 326 (1996).
9. A. Gavezzotti and G. Filippini, J. Am. Chem. Soc. 118, 7153 (1996).
10. J.W. Visser, J. Appl. Crystallogr. 2, 89 (1969).
11. P.E. Werner, L. Eriksson, M. Westdahl, J. Appl. Crystallogr. 18, 367 (1985).
12. A. LeBail, H. Duroy, J. L. Fourquet, Mater. Res. Bull. 23, 447 (1988).
13. J. Rodriguez Carvajal, Abstracts of the Satellite Meeting on Powder Diffraction of the XV Congress of the IUCr, Toulouse, France, 1990.
14. Finger, Cox and Jephcoat, J. Appl. Cryst. 27, 892 (1992).
15. Dinnebier R. E., GUFI a program for measurement and evaluation of powder pattern, Heidelberger Geowiss, Abh. 68, Heidelberg, 1993, ISBN 3-89257-067-1.
16. CRC Handbook of Chemistry and Physics, 77 Edition (1996-1997), CRC Press, NY.
17. Larson A.C. and Von Dreele R. B., Los Alamos Laboratory Report No. LA-UR-86-748, 1987.
18. Program Ortep-3 for Windows, 32-bit version 1.04, L. J. Farrugia, Dept. Chemistry, University of Glasgow, based in Ortep-III version 1.0.2, C. K. Johnson and M. N. Burnett.
19. K. Shankland, W. I. F. David, T. Csoka and L. McBride, International Journal of Pharmaceutics 165, 117 (1998).