Information card for entry 2217464

Structure parameters

• Chemical name: (S)-2-Amino-1-(pyrrolidinium-2-ylmethyl)pyridinium dibromide
• Formula: C10 H17 Br2 N3
• Calculated formula: C10 H17 Br2 N3
• SMILES: [Br-].[Br-].[NH2+]1[C@@H](CCC1)C[n+]1ccccc1N
• Title of publication: (<i>S</i>)-2-Amino-1-(pyrrolidinium-2-ylmethyl)pyridinium dibromide
• Authors of publication: Yifeng Wang; Shuai Zhang; Aibao Xia; Shuping Luo; Danqian Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o473 - o473
• a: 10.5509 ± 0.0005 Å
• b: 6.1755 ± 0.0003 Å
• c: 10.8474 ± 0.0006 Å
• α: 90°
• β: 107.483 ± 0.0014°
• γ: 90°
• Cell volume: 674.14 ± 0.06 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes