Information card for entry 1565984

Structure parameters

• Chemical name: [Sulfonylbis(bromomethylene)]dibenzene
• Formula: C14 H12 Br2 O2 S
• Calculated formula: C14 H12 Br2 O2 S
• SMILES: Br[C@@H](S(=O)(=O)[C@@H](Br)c1ccccc1)c1ccccc1
• Title of publication: [Sulfonylbis(bromomethylene)]dibenzene
• Authors of publication: Corfield, Peter W. R.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 1
• Pages of publication: x211351
• a: 16.53 ± 0.1 Å
• b: 12.81 ± 0.05 Å
• c: 13.46 ± 0.07 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2850 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes