Information card for entry 2234401

Structure parameters

• Chemical name: Cyclooctanaminium hydrogen succinate monohydrate
• Formula: C12 H25 N O5
• Calculated formula: C12 H25 N O5
• Title of publication: Cyclooctanaminium hydrogen succinate monohydrate
• Authors of publication: Khorasani, Sanaz; Fernandes, Manuel A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1204
• a: 8.4221 ± 0.0006 Å
• b: 14.3704 ± 0.0009 Å
• c: 23.7031 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2868.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0828
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes