Information card for entry 2211397

Structure parameters

• Chemical name: trans-1,4-Diaminocyclohexane dihydrobromide
• Formula: C6 H16 Br2 N2
• Calculated formula: C6 H16 Br2 N2
• SMILES: C1[C@H](CC[C@@H](C1)[NH3+])[NH3+].[Br-].[Br-]
• Title of publication: <i>trans</i>-Cyclohexane-1,4-diammonium dibromide
• Authors of publication: Rademeyer, Melanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5767 - o5769
• a: 7.4264 ± 0.0006 Å
• b: 8.9074 ± 0.0006 Å
• c: 15.8018 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1045.29 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes