Information card for entry 2218052

Structure parameters

• Chemical name: 3-Chloroquinuclidinium chloride
• Formula: C7 H13 Cl2 N
• Calculated formula: C7 H15 Cl2 N
• Title of publication: 3-Chloroquinuclidinium chloride
• Authors of publication: Azizul, Isha; Zainudin, Arifin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o911
• a: 9.379 ± 0.001 Å
• b: 8.067 ± 0.001 Å
• c: 11.482 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 868.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes