Information card for entry 2207130

Structure parameters

• Chemical name: Diisopropyl N,N'-(4-methyl-m-phenylene)dicarbamate
• Formula: C15 H22 N2 O4
• Calculated formula: C15 H22 N2 O4
• SMILES: O(C(C)C)C(=O)Nc1ccc(C)c(NC(=O)OC(C)C)c1
• Title of publication: Diisopropyl <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; Lina Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3874 - o3875
• a: 9.0708 ± 0.0018 Å
• b: 15.997 ± 0.006 Å
• c: 12.113 ± 0.002 Å
• α: 90 ± 0.04°
• β: 111.28 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1637.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes