Information card for entry 2010765

Structure parameters

• Chemical name: Bis(dicyclohexylammonium) adipate monohydrate
• Formula: C30 H58 N2 O5
• Calculated formula: C30 H58 N2 O5
• SMILES: C(=O)(CCCCC(=O)[O-])[O-].C1(CCCCC1)[NH2+]C1CCCCC1.O.C1(CCCCC1)[NH2+]C1CCCCC1
• Title of publication: Bis(dicyclohexylammonium) adipate monohydrate
• Authors of publication: Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e111 - e112
• a: 10.155 ± 0.003 Å
• b: 15.638 ± 0.005 Å
• c: 20.102 ± 0.006 Å
• α: 90°
• β: 104.56 ± 0.01°
• γ: 90°
• Cell volume: 3089.8 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.125
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes