Information card for entry 1571168

Structure parameters

• Chemical name: <i>erythro</i>-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene
• Formula: C16 H17 Br O2 S
• Calculated formula: C16 H17 Br O2 S
• Title of publication: erythro-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene
• Authors of publication: Corfield, Peter W. R.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 3
• a: 9.1051 ± 0.0013 Å
• b: 10.665 ± 0.002 Å
• c: 16.688 ± 0.003 Å
• α: 90°
• β: 102.16 ± 0.02°
• γ: 90°
• Cell volume: 1584.1 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No