Information card for entry 2201082

Structure parameters

• Chemical name: 2,2'-thiobis(2-benzoyl-3-(4-chlorophenyl)oxirane)
• Formula: C30 H20 Cl2 O4 S
• Calculated formula: C30 H20 Cl2 O4 S
• SMILES: Clc1ccc([C@H]2O[C@]2(S[C@]2(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2)C(=O)c2ccccc2)cc1
• Title of publication: 2,2'-Thiobis[2-benzoyl-3-(4-chlorophenyl)oxirane]
• Authors of publication: R. V. Krishnakumar; M. Subha Nandhini; S. Renuga; S. Natarajan; S. Selvaraj; S. Perumal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o504 - o505
• a: 14.0724 ± 0.0017 Å
• b: 16.3184 ± 0.0016 Å
• c: 11.768 ± 0.003 Å
• α: 90°
• β: 103.66 ± 0.02°
• γ: 90°
• Cell volume: 2626 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.075
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes