Information card for entry 2209578

Structure parameters

• Chemical name: 4,6-Dibenzoylisophthalic acid dimethyl sulfoxide disolvate
• Formula: C26 H26 O8 S2
• Calculated formula: C26 H26 O8 S2
• Title of publication: 4,6-Dibenzoylisophthalic acid dimethyl sulfoxide disolvate
• Authors of publication: Shan Liu; Guang-Liang Song; Jun-Mei Tang; Wen-Kai Xu; Hong-Jun Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2697 - o2699
• a: 9.88 ± 0.002 Å
• b: 10.858 ± 0.002 Å
• c: 12.627 ± 0.003 Å
• α: 75.45 ± 0.03°
• β: 89.59 ± 0.03°
• γ: 84.74 ± 0.03°
• Cell volume: 1305.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1472
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes