Tables for
Volume C
Mathematical, physical and chemical tables
Edited by E. Prince

International Tables for Crystallography (2006). Vol. C, ch. 9.7, pp. 897-906

Chapter 9.7. The space-group distribution of molecular organic structures

A. J. C. Wilson,a V. L. Karenb and A. Mighellb

aSt John's College, Cambridge CB2 1TP, England, and bNIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899, USA


Allen, F. H., Davies, J. E., Galloy, J. J., Johnson, O., Kennard, O., Macrae, C. F., Mitchell, E. M., Smith, J. M. & Watson, D. G. (1991). The development of versions 3 and 4 of the Cambridge Structural Database system. J. Chem. Inf. Comput. Sci. 31, 187–204.
Baker, R. J. & Nelder, J. A. (1978). The GLIM System. Release 3. Oxford: Numerical Algorithms Group.
Belsky, V. K., Zorkaya, O. N. & Zorky, P. M. (1995). Structural classes and space groups of organic homomolecular crystals: new statistical data. Acta Cryst. A51, 473–481.
Belsky, V. K. & Zorky, P. M. (1977). Distribution of homomolecular crystals by chiral types and structural classes. Acta Cryst. A33, 1004–1006.
Bertaut, E. F. (2005). International tables for crystallography, Vol. A, fifth edition, Chap. 4.1. Heidelberg: Springer.
Brock, C. P. & Dunitz, J. D. (1994). Towards a grammar of crystal packing. Chem. Mater. 6, 1118–1127.
Coutanceau Clarke, J. A. R. (1972). New periodic close packings of identical spheres. Nature (London), 240, 408–410.
Donohue, J. (1985). Revised space-group frequencies for organic compounds. Acta Cryst. A41, 203–204.
Evans, R. C. (1964). An introduction to crystal chemistry. Cambridge University Press.
Filippini, G. & Gavezzotti, A. (1992). A quantitative analysis of the relative importance of symmetry operators in organic molecular crystals. Acta Cryst. B48, 230–234.
Gavezzotti, A. (1991). Generation of possible crystal structures from the molecular structure for low-polarity organic compounds. J. Am. Chem. Soc. 113, 4622–4629.
Gavezzotti, A. (1994). Molecular packing and correlations between molecular and crystal properties. Structure correlation, Vol. 2, edited by H.-B. Bürgi & J. D. Dunitz, Chap. 12, pp. 509–542. Weinheim/New York/Basel/Cambridge/Tokyo: VCH Publishers.
Gibson, K. D. & Scheraga, H. A. (1995). Crystal packings without symmetry constraints. 1. Test of a new algorithm for determining crystal structures by energy minimization. J. Phys. Chem. 99, 3752–3764.
Hahn, Th. (2005). Editor. International tables for crystallography, Vol. A, Space-group symmetry, fifth edition. Heidelberg: Springer.
Kitaigorodskii, A. I. (1961). Organic chemical crystallography. New York: Consultants Bureau.
Kitaigorodsky, A. I. (1945). The close-packing of molecules in crystals of organic compounds. J. Phys. (Moscow), 9, 351–352.
Kitaigorodsky, A. I. (1973). Molecular crystals and molecules. New York: Academic Press.
Kitajgorodskij, A. I. (1955). Organicheskaya Kristallokhimiya. Moscow: Academy of Science.
Lidin, S., Jacob, M. & Andersson, S. (1995). A mathematical analysis of rod packings. J. Solid State Chem. 114, 36–41.
Mezey, P. G. (1993). Shape in chemistry, an introduction into molecular shape and topology. New York/Weinheim/Cambridge: VCH Publishers.
Mighell, A. D., Himes, V. L. & Rodgers, J. R. (1983). Space-group frequencies for organic compounds. Acta Cryst. A39, 737–740.
Nowacki, W. (1942). Symmetrie und physikalisch-chemische Eigenschaften krystallisierter Verbindungen. I. Die Verteilung der Kristallstrukturen über die 219 Raumgruppen. Helv. Chim. Acta, 25, 863–878.
Nowacki, W. (1943). Symmetrie und physikalisch-chemische Eigenschaften kristallisierter Verbindungen. II. Die allgemeinen Bauprinzipien organischer Verbindungen. Helv. Chim. Acta, 26, 459–462.
Padmaya, N., Ramakumar, S. & Viswamitra, M. A. (1990). Space-group frequencies of proteins and of organic compounds with more than one formula unit in the asymmetric unit. Acta Cryst. A46, 725–730.
Patterson, A. L. & Kasper, J. S. (1959). Close packing. International tables for X-ray crystallography, Vol. II, Mathematical tables, pp. 342–354. Birmingham: Kynoch Press.
Scaringe, R. P. (1991). A theoretical technique for layer structure prediction. Electron crystallography of organic molecules, edited by J. R. Fryer & D. L. Dorset, pp. 85–113. Dordrecht: Kluwer Academic Publishers.
Smith, A. J. (1973). Periodic close packings of identical spheres. Nature (London) Phys. Sci. 246(149), 10–11.
Williams, D. E. G. (1987). Close packing of spheres. J. Chem. Phys. 87, 4207–4210.
Wilson, A. J. C. (1980). Testing the hypothesis `no remaining systematic error' in parameter determination. Acta Cryst. A36, 937–944.
Wilson, A. J. C. (1988). Space groups rare for organic structures. I. Triclinic, monoclinic and orthorhombic crystal classes. Acta Cryst. A44, 715–724.
Wilson, A. J. C. (1990). Space groups rare for organic structures. II. Analysis by arithmetic crystal class. Acta Cryst. A46, 742–754.
Wilson, A. J. C. (1991). Space groups rare for molecular organic structures: the arithmetic crystal class mmmP. Z. Kristallogr. 197, 85–88.
Wilson, A. J. C. (1992). International tables for crystallography, Vol. C, Mathematical, physical and chemical tables, edited by A. J. C. Wilson, Chap. 9.7. Dordrecht: Kluwer Academic Publishers.
Wilson, A. J. C. (1993a). Kitajgorodskij's categories. Acta Cryst. A49, 210–212.
Wilson, A. J. C. (1993b). Kitajgorodskij and space-group popularity. Acta Chim. Acad. Sci. Hung. 130, 183–196.
Wilson, A. J. C. (1993c). Symmetry of organic crystalline compounds in the works of Kitajgorodskij. Kristallografiya, 38, 153–163. [In Russian.]
Wilson, A. J. C. (1993d). Space groups rare for organic structures. III. Symmorphism and inherent molecular symmetry. Acta Cryst. A49, 795–806.