Information card for entry 7209161

Structure parameters

• Formula: C15 H24 O9 S3
• Calculated formula: C15 H24 O9 S3
• Title of publication: Crystallising trimesic acid from DMSO solutions ‒ can crystallography teach us anything about the process of crystal nucleation?
• Authors of publication: Davey, Roger J.; Brychczynska, Monika; Sadiq, Ghazala; Dent, Geoffrey; Pritchard, Robin G.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 856
• a: 18.9143 ± 0.0007 Å
• b: 21.0884 ± 0.0009 Å
• c: 5.2773 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2104.97 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No