Information card for entry 2224390

Structure parameters

• Chemical name: Methyl <i>N</i>-phenylsuccinamate
• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: O=C(Nc1ccccc1)CCC(=O)OC
• Title of publication: Methyl <i>N</i>-phenylsuccinamate
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3064
• a: 15.973 ± 0.002 Å
• b: 12.6 ± 0.001 Å
• c: 5.2438 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1055.4 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes