Information card for entry 2202218

Structure parameters

• Common name: Trimesic acid triethyl ester
• Chemical name: Triethyl benzene-1,3,5-tricarboxylate
• Formula: C15 H18 O6
• Calculated formula: C15 H18 O6
• SMILES: c1(cc(cc(c1)C(=O)OCC)C(=O)OCC)C(=O)OCC
• Title of publication: Triethyl benzene-1,3,5-tricarboxylate
• 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: 6
• Pages of publication: o836 - o837
• a: 11.3438 ± 0.0017 Å
• b: 11.3438 ± 0.0017 Å
• c: 19.665 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2191.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes