Information card for entry 2211283

Structure parameters

• Chemical name: Dimethyl N,N'-(hexane-1,6-diyl)dicarbamate
• Formula: C10 H20 N2 O4
• Calculated formula: C10 H20 N2 O4
• SMILES: COC(=O)NCCCCCCNC(=O)OC
• Title of publication: Dimethyl <i>N</i>,<i>N</i>'-(hexane-1,6-diyl)dicarbamate
• Authors of publication: Hai-Tao Zhang; Jing-Kang Wang; Ying Chen; Lina Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5673 - o5674
• a: 5.029 ± 0.001 Å
• b: 23.674 ± 0.005 Å
• c: 5.255 ± 0.0011 Å
• α: 90°
• β: 93.56 ± 0.03°
• γ: 90°
• Cell volume: 624.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes