Information card for entry 2213219

Structure parameters

• Chemical name: 3,3'-Diethyl-3,3'-dihydroxy-5,5'-dimethyl-2,2'-bi-1H-indanylidene-1,1'-dione
• Formula: C24 H24 O4
• Calculated formula: C24 H24 O4
• SMILES: CC[C@]1(O)C(=C2\C(=O)c3c([C@@]2(O)CC)cc(cc3)C)/C(=O)c2c1cc(C)cc2
• Title of publication: 3,3'-Diethyl-3,3'-dihydroxy-5,5'-dimethyl-2,2'-bi-1<i>H</i>-indanylidene-1,1'-dione
• Authors of publication: Xu Li; Xing-Yi Zhao; Min Zhao; Jing-Jun Liu; Yong-Ming Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2182 - o2183
• a: 8.584 ± 0.002 Å
• b: 7.486 ± 0.0015 Å
• c: 15.554 ± 0.004 Å
• α: 90°
• β: 100.564 ± 0.008°
• γ: 90°
• Cell volume: 982.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes