Information card for entry 2228426

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide
• Formula: C14 H10 Cl N O3
• Calculated formula: C14 H10 Cl N O3
• SMILES: Clc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2O[C@H]3C=C2)cc1
• Title of publication: <i>N</i>-(4-Chlorophenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide
• Authors of publication: Li, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3238
• a: 10.4946 ± 0.0011 Å
• b: 8.289 ± 0.0008 Å
• c: 14.0871 ± 0.0013 Å
• α: 90°
• β: 91.538 ± 0.001°
• γ: 90°
• Cell volume: 1225 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.074
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes