Information card for entry 4500402

Structure parameters

• Chemical name: bis(cycloheptylammonium).(terephthalate)
• Formula: C11 H18 N O2
• Calculated formula: C11 H18 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: 11.121 ± 0.001 Å
• b: 6.2292 ± 0.0005 Å
• c: 16.302 ± 0.0014 Å
• α: 90°
• β: 102.8 ± 0.004°
• γ: 90°
• Cell volume: 1101.26 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No