Information card for entry 7205768

Structure parameters

• Chemical name: (cyclohexylammonium).(adamantane carboxylate)
• Formula: C17 H29 N O2
• Calculated formula: C17 H29 N O2
• Title of publication: Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
• Authors of publication: Lemmerer, Andreas
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2849
• a: 6.5544 ± 0.0003 Å
• b: 12.7452 ± 0.0004 Å
• c: 19.7109 ± 0.0009 Å
• α: 76.69 ± 0.003°
• β: 89.615 ± 0.003°
• γ: 89.59 ± 0.002°
• Cell volume: 1602.3 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1166
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.2709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No