Information card for entry 2222435

Structure parameters

• Chemical name: <i>N</i>-Phenylformamide
• Formula: C7 H7 N O
• Calculated formula: C7 H7 N O
• SMILES: O=CNc1ccccc1
• Title of publication: <i>N</i>-Phenylformamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1633
• a: 30.923 ± 0.003 Å
• b: 6.1737 ± 0.0006 Å
• c: 14.814 ± 0.001 Å
• α: 90°
• β: 113.14 ± 0.01°
• γ: 90°
• Cell volume: 2600.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes