Information card for entry 7202931

Structure parameters

• Common name: Tetrakis-(4-sulfonatophenyl)methane
• Chemical name: Tetrakis-(4-sulfonatophenyl)methane
• Formula: C50 H32 O44 S8
• Calculated formula: C50 H32 O44 S8
• Title of publication: Tetrakis(4-sulfophenyl)methane dodecahydrate. Reversible and selective water inclusion and release in an organic host
• Authors of publication: Sarma, Bipul; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 628
• a: 21.8492 ± 0.0012 Å
• b: 21.8492 ± 0.0012 Å
• c: 7.3635 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3515.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No