Information card for entry 2016875

Structure parameters

• Chemical name: <i>N</i>-Benzylformamide
• Formula: C8 H9 N O
• Calculated formula: C8 H9 N O
• SMILES: O=CNCc1ccccc1
• Title of publication: <i>N</i>-Benzylformamide at 150K
• Authors of publication: Michta, Anna; Nowak, Maria; Kusz, Joachim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o633 - o636
• a: 4.7069 ± 0.0009 Å
• b: 16.036 ± 0.003 Å
• c: 19.104 ± 0.004 Å
• α: 90°
• β: 91.08 ± 0.03°
• γ: 90°
• Cell volume: 1441.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1092
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes