Information card for entry 8102407

Structure parameters

• Common name: R-(+)-2-bromo-alpha-methyl benzylalcohol
• Chemical name: R-(+)-2-bromo-α-methyl benzylalcohol
• Formula: C8 H9 Br O
• Calculated formula: C8 H9 Br O
• SMILES: Brc1c(cccc1)[C@H](O)C
• Title of publication: Crystal structure of R-(+)-1-(2-bromophenyl)ethanol, C8H9BrO
• Authors of publication: Richard J. Staples; Peter A. Wood
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 119
• a: 7.324 ± 0.0013 Å
• b: 11.946 ± 0.002 Å
• c: 19.336 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1691.8 ± 0.5 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: 0.1026
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No