Information card for entry 2013934

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)c1c(OC(=O)C)cccc1
• 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: 8.859 ± 0.001 Å
• b: 12.83 ± 0.002 Å
• c: 12.615 ± 0.001 Å
• α: 90°
• β: 102.971 ± 0.002°
• γ: 90°
• Cell volume: 1397.2 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes