Information card for entry 2205973

Structure parameters

• Common name: (1R*,2R*)-Di-tert-butyl N,N'-(cyclohexane-1,2-diyl)dicarbamate
• Chemical name: (1R*,2R*)-Di-tert-butyl N,N'-(cyclohexane-1,2-diyl)dicarbamate
• Formula: C16 H30 N2 O4
• Calculated formula: C16 H30 N2 O4
• SMILES: O=C(OC(C)(C)C)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C
• Title of publication: (1<i>R</i>*,2<i>R</i>*)-Di-<i>tert</i>-butyl <i>N</i>,<i>N</i>'-(cyclohexane-1,2-diyl)dicarbamate
• Authors of publication: Light, Mark E.; Andrea Ragusa; Jeremy D. Kilburn
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1956 - o1958
• a: 18.856 ± 0.004 Å
• b: 9.311 ± 0.0019 Å
• c: 5.183 ± 0.001 Å
• α: 90°
• β: 101.04 ± 0.03°
• γ: 90°
• Cell volume: 893.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes