Information card for entry 7053256

Structure parameters

• Common name: 1,4-di(bis(4'-hydroxyphenyl)methyl)benzene dimethylsulfoxide solvate
• Chemical name: 1,4-di[bis(4'-hydroxyphenyl)methyl]benzene dimethylsulfoxide solvate
• Formula: C36 H38 O6 S2
• Calculated formula: C36 H38 O6 S2
• SMILES: c1(ccc(cc1)C(c1ccc(O)cc1)c1ccc(C(c2ccc(cc2)O)c2ccc(O)cc2)cc1)O.S(C)(=O)C.O=S(C)C
• Title of publication: Supramolecular networks of a H-shaped aromatic phenol host
• Authors of publication: Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 623
• a: 11.0387 ± 0.0011 Å
• b: 7.4017 ± 0.0007 Å
• c: 19.498 ± 0.0019 Å
• α: 90°
• β: 96.343 ± 0.002°
• γ: 90°
• Cell volume: 1583.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No