Information card for entry 2223818

Structure parameters

• Chemical name: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl <i>N</i>-ethylcarbamate
• Formula: C13 H17 N O3
• Calculated formula: C13 H17 N O3
• SMILES: CCNC(=O)Oc1cccc2c1OC(C2)(C)C
• Title of publication: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl <i>N</i>-ethylcarbamate
• Authors of publication: Li, Wen-Sheng; Li, Li; Li, Jiang-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2928
• a: 10.362 ± 0.002 Å
• b: 13.962 ± 0.003 Å
• c: 18.069 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2614.1 ± 1 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: 0.0805
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes