Information card for entry 2205302

Structure parameters

• Common name: Tetrakis(4-carboxyphenyl)methane‒dimethyl sulfoxide‒toluene (1/4/1)
• Chemical name: 4,4',4'',4'''-methanetetrayltetracarboxylic acid‒dimethyl sulfoxide‒toluene (1/4/1)
• Formula: C44 H52 O12 S4
• Calculated formula: C44 H52 O12 S4
• Title of publication: Tetrakis(4-carboxyphenyl)methane‒dimethyl sulfoxide‒toluene (1/4/1)
• Authors of publication: Nadia Malek; Thierry Maris; Michel Simard; James D. Wuest
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o518 - o520
• a: 28.723 ± 0.015 Å
• b: 7.269 ± 0.005 Å
• c: 26.824 ± 0.009 Å
• α: 90°
• β: 123.61 ± 0.03°
• γ: 90°
• Cell volume: 4664 ± 5 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes