Information card for entry 2230370

Structure parameters

• Common name: M101
• Chemical name: <i>rac</i>-2,2'-Bipiperidine-1,1'-diium dibromide
• Formula: C10 H22 Br2 N2
• Calculated formula: C10 H22 Br2 N2
• SMILES: C1[NH2+][C@@H]([C@H]2CCCC[NH2+]2)CCC1.[Br-].[Br-].C1[NH2+][C@H]([C@@H]2CCCC[NH2+]2)CCC1.[Br-].[Br-]
• Title of publication: <i>rac</i>-2,2'-Bipiperidine-1,1'-diium dibromide
• Authors of publication: Laars, Marju; Ausmees, Kerti; Kudrjashova, Marina; Kanger, Tõnis; Werner, Franz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1324
• a: 11.789 ± 0.002 Å
• b: 10.6403 ± 0.0018 Å
• c: 11.6632 ± 0.0017 Å
• α: 90°
• β: 107.687 ± 0.005°
• γ: 90°
• Cell volume: 1393.9 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes