Information card for entry 2240903

Structure parameters

• Chemical name: Bis(cyclohexylammonium) succinate succinic acid
• Formula: C20 H38 N2 O8
• Calculated formula: C20 H38 N2 O8
• SMILES: C(=O)(CCC(=O)O)O.C(=O)(CCC(=O)[O-])[O-].C1(CCCCC1)[NH3+].C1(CCCCC1)[NH3+]
• Title of publication: Crystal structure of the bis(cyclohexylammonium) succinate succinic acid salt adduct
• Authors of publication: Sarr, Modou; Diasse-Sarr, Aminata; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: 899 - 901
• a: 9.5147 ± 0.0005 Å
• b: 10.4479 ± 0.0006 Å
• c: 11.4082 ± 0.0006 Å
• α: 96.789 ± 0.002°
• β: 93.287 ± 0.002°
• γ: 90.945 ± 0.002°
• Cell volume: 1123.96 ± 0.11 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes