Information card for entry 2013935

Structure parameters

• Formula: C16 H13 N O5
• Calculated formula: C16 H13 N O5
• SMILES: O1[C@H]2[C@H]3C(=O)N(C(=O)[C@H]3[C@@H]1C=C2)c1ccc(OC(=O)C)cc1
• Title of publication: <i>Exo</i> Diels‒Alder adducts between <i>ortho</i>- and <i>para</i>-<i>N</i>-acetoxyphenylmaleimides and furan
• Authors of publication: Jose G. Trujillo-Ferrara; Efrén V. García-Báez; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Norberto Farfan-García
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o427 - o430
• a: 9.703 ± 0.001 Å
• b: 15.856 ± 0.001 Å
• c: 18.845 ± 0.0019 Å
• α: 90°
• β: 101.962 ± 0.005°
• γ: 90°
• Cell volume: 2836.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1441
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes