Information card for entry 2238591

Structure parameters

• Chemical name: <i>tert</i>-Butyl <i>N</i>-(thiophen-2-yl)carbamate
• Formula: C9 H13 N O2 S
• Calculated formula: C9 H13 N O2 S
• SMILES: O=C(OC(C)(C)C)Nc1cccs1
• Title of publication: <i>tert</i>-Butyl <i>N</i>-(thiophen-2-yl)carbamate
• Authors of publication: Hsu, Gene C.; Singer, Laci M.; Cordes, David B.; Findlater, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1413
• a: 11.732 ± 0.002 Å
• b: 8.6513 ± 0.0017 Å
• c: 9.879 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1002.7 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes