Information card for entry 2202199

Structure parameters

• Chemical name: Trimesic acid bis(N,N-dimethylformamide) solvate
• Formula: C15 H20 N2 O8
• Calculated formula: C15 H20 N2 O8
• SMILES: c1(cc(cc(c1)C(=O)O)C(=O)O)C(=O)O.O=CN(C)C.O=CN(C)C
• Title of publication: Trimesic acid bis(<i>N,N</i>-dimethylformamide) solvate at 150K
• Authors of publication: Dale, Sophie H.; Elsegood, Mark R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o127 - o128
• a: 16.6529 ± 0.0018 Å
• b: 14.4143 ± 0.0016 Å
• c: 7.231 ± 0.0008 Å
• α: 90°
• β: 90.719 ± 0.002°
• γ: 90°
• Cell volume: 1735.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1204
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes