Information card for entry 2218519

Structure parameters

• Chemical name: Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic dianhydride
• Formula: C12 H8 O6
• Calculated formula: C12 H8 O6
• SMILES: C1(=O)[C@@H]2C3[C@@H]4C(=O)OC(=O)[C@@H]4C([C@@H]2C(=O)O1)C=C3
• Title of publication: Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic dianhydride
• Authors of publication: Hu, Tuoping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1021
• a: 7.627 ± 0.002 Å
• b: 13.877 ± 0.003 Å
• c: 9.823 ± 0.002 Å
• α: 90°
• β: 100.68 ± 0.02°
• γ: 90°
• Cell volume: 1021.7 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes