Information card for entry 2216888

Structure parameters

• Chemical name: (<i>S</i>)-(+)-1-(2-Bromophenyl)ethanol
• Formula: C8 H9 Br O
• Calculated formula: C8 H9 Br O
• SMILES: Brc1c(cccc1)[C@@H](O)C
• Title of publication: (<i>S</i>)-(+)-1-(2-Bromophenyl)ethanol
• Authors of publication: Staples, Richard J.; Jonathan W. Medley
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o301 - o301
• a: 7.3235 ± 0.0006 Å
• b: 11.944 ± 0.0011 Å
• c: 19.3583 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1693.3 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes