Crystallography Open Database

Information card for entry 2240807

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Structure parameters

Common name	Gossypol
Chemical name	1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl[2,2'-binaphthalene]-8,8'-dicarbaldehyde
Formula	C30 H30 O8
Calculated formula	C30 H30 O8
SMILES	c1(c(c(cc2c(c(c(c(c12)C=O)O)O)C(C)C)C)c1c(c2c(c(c(c(c2cc1C)C(C)C)O)O)C=O)O)O
Title of publication	Redetermined structure of gossypol (<i>P</i>3 polymorph)
Authors of publication	Honkeldieva, Muhabbat; Kunafiev, Rishad; Hamidov, Hayrullo I.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	7
Pages of publication	o442 - o443
a	21.2196 ± 0.0004 Å
b	19.0886 ± 0.0002 Å
c	15.2564 ± 0.0002 Å
α	90°
β	113.262 ± 0.002°
γ	90°
Cell volume	5677.29 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1516
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181908 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08	2240807.cif 2240807.hkl
138438	2015-06-06	cif/ hkl/ Adding structures of 2240807 via cif-deposit CGI script.	2240807.cif 2240807.hkl