Information card for entry 8102733

Structure parameters

• Formula: C14 H18 N2 O3
• Calculated formula: C14 H18 N2 O3
• SMILES: N([C@@H]1CCCCNC1=O)C(=O)OCc1ccccc1
• Title of publication: Crystal structure of (R)-benzyl 2-oxoazepan-3-ylcarbamate, C14H18N2O3
• Authors of publication: Xue-Kui Xia; Yong-Gang Zhang; Xin Liu; Wen-Peng Yuan; Mian-Song Zhang; Xiao-Jun Wang; Xiu-Mei Meng; Chang-Heng Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 387
• a: 7.396 ± 0.0014 Å
• b: 11.492 ± 0.002 Å
• c: 16.03 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1362.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No