Information card for entry 4500399

Structure parameters

• Chemical name: bis(cyclobutylammonium).(terephthalate).(H2O)
• Formula: C16 H26 N2 O5
• Calculated formula: C16 H26 N2 O5
• 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: 7.484 ± 0.002 Å
• b: 11.332 ± 0.004 Å
• c: 11.999 ± 0.004 Å
• α: 104.202 ± 0.006°
• β: 101.783 ± 0.007°
• γ: 106.211 ± 0.007°
• Cell volume: 905.7 ± 0.5 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: 0.1211
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No