Information card for entry 4500404

Structure parameters

• Chemical name: bis(cyclododecylammonium).(terephthalate)
• Formula: C16 H28 N O2
• Calculated formula: C16 H28 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: 5.4472 ± 0.0001 Å
• b: 8.6949 ± 0.0002 Å
• c: 16.5626 ± 0.0005 Å
• α: 94.434 ± 0.002°
• β: 93.198 ± 0.002°
• γ: 97.775 ± 0.001°
• Cell volume: 773.17 ± 0.03 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: 0.0462
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No