Information card for entry 7102655

Structure parameters

• Formula: C10 H10 O7
• Calculated formula: C10 H10 O7
• SMILES: c1(cc(cc(c1)C(=O)O)C(=O)O)C(=O)O.OC
• Title of publication: Step-wise dis-assembly of trimesic acid: mono- and bis(methanol) solvates.
• Authors of publication: Dale, Sophie H; Elsegood, Mark R J; Richards, Simon J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 11
• Pages of publication: 1278 - 1279
• a: 7.877 ± 0.001 Å
• b: 8.9629 ± 0.0011 Å
• c: 8.9562 ± 0.0011 Å
• α: 111.926 ± 0.003°
• β: 96.722 ± 0.003°
• γ: 110.575 ± 0.003°
• Cell volume: 526.24 ± 0.11 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No