Information card for entry 2017844

Structure parameters

• Common name: 6,6'-dimethoxygossypolone
• Chemical name: 7,7'-dihydroxy-5,5'-diisopropyl-6,6'-dimethoxy-3,3'-dimethyl- 1,1',4,4'-tetraoxo-2,2'-binaphthalene-8,8'-dicarbaldehyde
• Formula: C32 H30 O10
• Calculated formula: C32 H30 O10
• SMILES: O=Cc1c2C(=O)C(=C(C(=O)c2c(c(c1O)OC)C(C)C)C)C1=C(C)C(=O)c2c(C1=O)c(C=O)c(c(c2C(C)C)OC)O
• Title of publication: 6,6'-Dimethoxygossypolone
• Authors of publication: Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o517 - o520
• a: 17.8278 ± 0.001 Å
• b: 26.2103 ± 0.0016 Å
• c: 12.2116 ± 0.0007 Å
• α: 90°
• β: 108.069 ± 0.001°
• γ: 90°
• Cell volume: 5424.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes