Information card for entry 2234466

Structure parameters

• Chemical name: 3,3',6,6'-tetrahydroxy-4,4'-dimethyl-1,1'-bi(cyclohexa-3,6-diene)-2,2',5,5'- tetraone
• Formula: C14 H10 O8
• Calculated formula: C14 H10 O8
• SMILES: OC1=C(C2=C(O)C(=O)C(=C(C2=O)O)C)C(=O)C(=C(C1=O)C)O
• Title of publication: Oosporein from <i>Tremella fuciformis</i>
• Authors of publication: He, Gang; Yan, Jun; Wu, Xiao-Yong; Gou, Xiao-Jun; Li, Wan-Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1231
• a: 11.9983 ± 0.0009 Å
• b: 8.2981 ± 0.0006 Å
• c: 13.7634 ± 0.0011 Å
• α: 90°
• β: 105.994 ± 0.007°
• γ: 90°
• Cell volume: 1317.28 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0736
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes