Information card for entry 2006725

Structure parameters

• Chemical name: t-butyl carbamate
• Formula: C5 H11 N O2
• Calculated formula: C5 H11 N O2
• SMILES: NC(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl Carbamate at 100K
• Authors of publication: Bursavich, Matthew G.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: IUC9700022
• a: 5.2107 ± 0.0008 Å
• b: 9.91 ± 0.001 Å
• c: 13.065 ± 0.002 Å
• α: 90°
• β: 98.1 ± 0.01°
• γ: 90°
• Cell volume: 667.92 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for all reflections: 1.612
• Goodness-of-fit parameter for significantly intense reflections: 1.602
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No