Information card for entry 2201075

Structure parameters

• Chemical name: N-acetyl-N-[1-(2-naphthalenyl)ethenyl]-acetamide
• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• SMILES: O=C(N(C(=C)c1ccc2ccccc2c1)C(=O)C)C
• Title of publication: <i>N</i>-Acetyl-<i>N</i>-[1-(2-naphthalenyl)ethenyl]acetamide
• Authors of publication: Jia, Xian; Li, Xingshu; Zhou, Zhongyuan; You, Song; Chen, Yubin; Yao, Xinsheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o438 - o439
• a: 8.9909 ± 0.0017 Å
• b: 14.814 ± 0.003 Å
• c: 20.469 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2726.3 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.192
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes