Information card for entry 7102656

Structure parameters

• Formula: C11 H14 O8
• Calculated formula: C11 H14 O8
• 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: 3.7519 ± 0.0009 Å
• b: 9.579 ± 0.002 Å
• c: 17.732 ± 0.004 Å
• α: 91.206 ± 0.006°
• β: 91.881 ± 0.006°
• γ: 93.998 ± 0.005°
• Cell volume: 635.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0914
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No