Information card for entry 2240807

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 ų
• 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 Fobs: Yes