Information card for entry 2217946

Structure parameters

• Common name: (1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diamine
• Chemical name: (1<i>R</i>,2<i>R</i>)-N,N'-Dimethylcyclohexane-1,2-diamine
• Formula: C8 H18 N2
• Calculated formula: C8 H18 N2
• SMILES: [C@H]1(CCCC[C@H]1NC)NC
• Title of publication: (1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Dimethylcyclohexane-1,2-diamine
• Authors of publication: Strohmann, Carsten; Gessner, Viktoria H.; Damme, Alexander; Koller, Stephan; Däschlein, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o687
• a: 7.552 ± 0.004 Å
• b: 8.521 ± 0.005 Å
• c: 14.142 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 910 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes