Information card for entry 2238827

Structure parameters

• Chemical name: (2<i>R</i>,2'<i>S</i>)-2,2'-Bipiperidine-1,1'-diium dibromide
• Formula: C10 H22 Br2 N2
• Calculated formula: C10 H22 Br2 N2
• SMILES: [C@@H]1(CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1.[Br-].[Br-]
• Title of publication: (2<i>R</i>,2'<i>S</i>)-2,2'-Bipiperidine-1,1'-diium dibromide
• Authors of publication: Yang, Guang; Noll, Bruce C.; Rybak-Akimova, Elena V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1711
• a: 17.9719 ± 0.0009 Å
• b: 9.7654 ± 0.0005 Å
• c: 7.3637 ± 0.0003 Å
• α: 90°
• β: 92.134 ± 0.001°
• γ: 90°
• Cell volume: 1291.45 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No