Information card for entry 2205971

Structure parameters

• Chemical name: 2,3-Dihydro-2,2-dimethylbenzofuran-7-yl N-methylcarbamate
• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• SMILES: N(C(=O)Oc1c2OC(Cc2ccc1)(C)C)C
• Title of publication: 2,3-Dihydro-2,2-dimethylbenzofuran-7-yl <i>N</i>-methylcarbamate
• Authors of publication: Liang-Zhong Xu; Guan-Ping Yu; Shuang-Hua Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1924 - o1926
• a: 10.2654 ± 0.0015 Å
• b: 13.515 ± 0.002 Å
• c: 17.23 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2390.4 ± 0.6 ų
• Cell temperature: 294 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1085
• 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