X-ray crystal structure analysis and atomic charges of color former and developer: 5. Colored formers

Journal of Molecular Structure

Volumn 510, Issue 1-3, 1999, Pages 35-51

  Okada, K ^a   Okada, S ^b  

^a RICOH COMPANY LTD   (Japan)

^b TOKYO UNIVERSITY OF SCIENCE   (Japan)

Author keywords

Atomic charge; Color former; Crystal structure; Fluoran compound

Indexed keywords

XANTHENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; CRYSTAL STRUCTURE; STRUCTURE ANALYSIS; THERMAL ANALYSIS; X RAY DIFFRACTION;

EID: 0033539533     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(99)00034-4     Document Type: Article

References (28)

1. Witt O.N. Ber. Dtsch. Chem. Ges. 9:1876;522.
2. Kubata H., Yoshioka H., Nakatsu K., Matsumoto M., Sato Y. J. Soc. Photogra. Sci. Tech. Jpn. 1990;2A-5.
3. Kubata H., Yoshioka H., Nakatsu K., Matsumoto M., Sato Y. J. Soc. Photogra. Sci. Tech. Jpn. 1990;2B-20.
4. Rihs G., Weis C.D. Dyes and Pigments. 15:1991;165.
5. Okada K., Okada S. J. Mol. Struct. 484:1999;161-179.
6. Okada K., Okada S. J. Chem. Inf. Comp. Sci. 37:(3):1997;522.
7. M. Nardelli, private communication of CYLABS and SHERABS, 1997.
8. International Tables for X-ray Crystallography, vol. C, 1992, pp. 302, 523.
9. Dwiggins Jr C.W. Acta Crystallogr. Sect. A. A31:1975;146.
10. R. Miller, S.M. Gallo, H.G. Khalak, C.M. Weeks, SnB: A Structure Determination Package User's Manual for Version 1.5.0, HWI, Buffalo, NY, 1996.
11. D.W.J. Cruickshank, in J.S. Rollet (Ed.), Computing Methods in Crystallography, Oxford, Pergamon Press, 1965, pp. 112-116.
12. International Tables for X-ray Crystallography, vol. IV, Kynoch Press, Birmingham, 1974, pp. 99-102, p. 149.
13. Schomaker V., Trueblood K.N. Acta Cryst. B24:1968;63.
14. Trueblood K.N. Acta Cryst. A34:1978;950.
15. Dunitz J.D., White D.N.J. Acta Cryst. A29:1973;93.
16. K.N. Trueblood, THMA14, The computer program for thermal motion analysis including internal torsion, University of California, Los Angeles, CA, 1992.
17. M. Nardelli, ROTENR, A Fortran routine for calculating non-bonded potential energy, University of Parma, Parma, Italy, 1992.
18. Gasteiger J., Marsili M. Tetrahedron. 36:1980;3219.
19. Stewart J.J.P. J. Comp. Chem. 10:1989;209,221.
20. 2: User Manual CERIUS version 3.1, Molecular Simulations, Cambridge, MA, 1993.
21. Cremer D., Pople J.A. J. Am. Chem. Soc. 97:1975;1354.
22. Nardelli M. Acta Cryst. C39:1983;1141.
23. Hirshfeld F.L. Acta Crystallogr. Sect. A. A32:1976;239.
24. Griffiths J., Pender K.J. Dyes Pigments. 2:1981;37.
25. Taylor R., Kennard O. J. Am. Chem. Soc. 104:1982;5063.
26. Okada K. J. Mol. Struct. 380:1996;235.
27. Okada K., Okada S. J. Mol. Struct. 406:1997;29.
28. M.N. Burnett, C.K. Johnson, ORTEP-III, Oak Ridge thermal ellipsoid plot program for crystal structure illustrations, ORNL-6895, Oak Ridge National Laboratory, Oak Ridge, TN, 1996.