Information card for entry 1100202

Structure parameters

• Chemical name: (-)-(R,R)-p-Chlorophenyl-1-bromo-2-phenylethyl sulfoxide
• Formula: C14 H12 Br Cl O S
• Calculated formula: C14 H12 Br Cl O S
• Title of publication: Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents
• Authors of publication: Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus
• Journal of publication: Chemistry - A European Journal
• Year of publication: 2000
• Journal volume: 6
• Journal issue: 18
• Pages of publication: 3359 - 3365
• a: 9.1121 ± 0.0008 Å
• b: 9.7596 ± 0.0007 Å
• c: 9.9764 ± 0.0011 Å
• α: 84.681 ± 0.008°
• β: 62.893 ± 0.006°
• γ: 63.397 ± 0.006°
• Cell volume: 699.198 ų
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 5.23
• Weighted residual factors for significantly intense reflections: 5.23
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No