Information card for entry 2201495

Structure parameters

• Chemical name: 2,2'-Sulfonylbis(2-benzoyl-3-phenyloxirane)
• Formula: C30 H22 O6 S
• Calculated formula: C30 H22 O6 S
• SMILES: S(=O)(=O)([C@]1(O[C@@H]1c1ccccc1)C(=O)c1ccccc1)[C@]1(O[C@@H]1c1ccccc1)C(=O)c1ccccc1.S(=O)(=O)([C@@]1(O[C@H]1c1ccccc1)C(=O)c1ccccc1)[C@@]1(O[C@H]1c1ccccc1)C(=O)c1ccccc1
• Title of publication: 2,2'-Sulfonylbis(2-benzoyl-3-phenyloxirane)
• Authors of publication: Krishnakumar, R. V.; Subha Nandhini, M.; Renuga, S.; Natarajan, S.; Selvaraj, S.; Perumal, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1174 - o1176
• a: 13.228 ± 0.003 Å
• b: 11.754 ± 0.006 Å
• c: 18.659 ± 0.005 Å
• α: 90°
• β: 119.05 ± 0.02°
• γ: 90°
• Cell volume: 2536.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1291
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes