Information card for entry 4508855

Structure parameters

• Common name: 1:2 Acetic acid solvate of Trimesic acid
• Chemical name: 1:2 Acetic acid solvate of Trimesic acid
• Formula: C20 H16 O14
• Calculated formula: C20 H16 O14
• Title of publication: An Acetic Acid Solvate of Trimesic Acid That Exhibits Triple Inclined Interpenetration and Mixed Supramolecular Homosynthons
• Authors of publication: Vishweshwar, Peddy; Beauchamp, Derek A.; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 2429
• a: 15.4523 ± 0.0014 Å
• b: 16.3494 ± 0.0015 Å
• c: 16.513 ± 0.0014 Å
• α: 119.409 ± 0.002°
• β: 90.449 ± 0.002°
• γ: 117.481 ± 0.001°
• Cell volume: 3072.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No