Information card for entry 2227164

Structure parameters

• Chemical name: 2,2-Dimethyl-1,3-benzodioxol-4-yl <i>N</i>-methylcarbamate
• Formula: C11 H13 N O4
• Calculated formula: C11 H13 N O4
• SMILES: O=C(Oc1c2OC(Oc2ccc1)(C)C)NC
• Title of publication: 2,2-Dimethyl-1,3-benzodioxol-4-yl <i>N</i>-methylcarbamate
• Authors of publication: Xia, Cheng-Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2580
• a: 9.505 ± 0.006 Å
• b: 9.669 ± 0.007 Å
• c: 12.355 ± 0.008 Å
• α: 90°
• β: 94.326 ± 0.011°
• γ: 90°
• Cell volume: 1132.2 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes