Information card for entry 2206989

Structure parameters

• Chemical name: (3-methoxycarbonylamino-4-methyl-phenyl)-carbamic acid methyl ester
• Formula: C11 H14 N2 O4
• Calculated formula: C11 H14 N2 O4
• SMILES: O=C(OC)Nc1ccc(C)c(NC(=O)OC)c1
• Title of publication: Dimethyl <i>N</i>,<i>N</i>'-(4-methyl-<i>m</i>-phenylene)dicarbamate
• Authors of publication: Yong-Yan Lu; Qiu-Xiang Yin; Jing-Kang Wang; Li-Na Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3412 - o3413
• a: 7.4223 ± 0.0015 Å
• b: 8.1444 ± 0.0016 Å
• c: 10.642 ± 0.002 Å
• α: 74.01 ± 0.03°
• β: 71.64 ± 0.03°
• γ: 75.44 ± 0.03°
• Cell volume: 577.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes