Information card for entry 2011042

Structure parameters

• Formula: C10 H10 O5
• Calculated formula: C10 H10 O5
• SMILES: O1C(=O)[C@H]2CC=C[C@@H](OC(=O)C)[C@H]2C1=O.O1C(=O)[C@@H]2CC=C[C@H](OC(=O)C)[C@@H]2C1=O
• Title of publication: 3-Acetoxycyclohex-4-ene-1,2-dicarboxylic anhydride
• Authors of publication: Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e265 - e266
• a: 10.4676 ± 0.0018 Å
• b: 10.4774 ± 0.0015 Å
• c: 10.5727 ± 0.0018 Å
• α: 71.878 ± 0.012°
• β: 64.619 ± 0.012°
• γ: 69.533 ± 0.012°
• Cell volume: 963.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes