Information card for entry 2233891

Structure parameters

• Common name: (1<i>R</i>*,2<i>S</i>*,4<i>S</i>*,5<i>R</i>*)-Cyclohexane-1,2:4,5- tetracarboxylic dianhydride
• Chemical name: (1<i>R</i>*,3<i>R</i>*,7<i>S</i>*,9<i>S</i>*)- 5,11-dioxatricyclo[7.3.0.0^3,7^]dodecane-4,6,10,12-tetrone
• Formula: C10 H8 O6
• Calculated formula: C10 H8 O6
• SMILES: O=C1OC(=O)[C@@H]2[C@H]1C[C@@H]1[C@H](C2)C(=O)OC1=O
• Title of publication: (1<i>R</i>*,2<i>S</i>*,4<i>S</i>*,5<i>R</i>*)-Cyclohexane-1,2:4,5-tetracarboxylic dianhydride
• Authors of publication: Uchida, Akira; Hasegawa, Masatoshi; Takezawa, Eiichiro; Yamaguchi, Shinya; Ishikawa, Atsushi; Kagayama, Takashi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o579
• a: 12.167 ± 0.002 Å
• b: 7.138 ± 0.0014 Å
• c: 10.626 ± 0.002 Å
• α: 90°
• β: 90.12 ± 0.03°
• γ: 90°
• Cell volume: 922.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes