Information card for entry 4500400

Structure parameters

• Chemical name: bis(cyclopentylammonium).(terephthalate)
• Formula: C9 H14 N O2
• Calculated formula: C9 H14 N O2
• Title of publication: Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12
• Authors of publication: Lemmerer, Andreas
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 583
• a: 10.2924 ± 0.0016 Å
• b: 6.3171 ± 0.001 Å
• c: 14.574 ± 0.002 Å
• α: 90°
• β: 106.009 ± 0.011°
• γ: 90°
• Cell volume: 910.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No