Information card for entry 7157444

Structure parameters

• Common name: Dibenzyl disulfanylsulfone
• Chemical name: 1-(4-Bromobenzyl)-2-[(4-bromophenyl)(phenylsulfonyl)methyl]disulfane
• Formula: C20 H16 Br2 O2 S3
• Calculated formula: C20 H16 Br2 O2 S3
• Title of publication: Phenylboronic acid-catalyzed tandem construction of S-S and C-S bonds: a new method for the synthesis of benzyl disulfanylsulfone derivatives from S-benzyl thiosulfonates.
• Authors of publication: Jannapu Reddy, Raju; Waheed, Md; Rama Krishna, Gamidi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 3243 - 3248
• a: 14.1114 ± 0.0013 Å
• b: 5.6423 ± 0.0005 Å
• c: 25.433 ± 0.002 Å
• α: 90°
• β: 98.033 ± 0.003°
• γ: 90°
• Cell volume: 2005.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No