Information card for entry 1100177

Structure parameters

• Chemical name: (S,R)-1-Chloro-2-phenylethyl p-tolyl sulfoxide
• Formula: C15 H15 Cl O S
• Calculated formula: C21 H22 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: 7.685 ± 0.002 Å
• b: 5.006 ± 0.001 Å
• c: 18.58 ± 0.005 Å
• α: 90°
• β: 97.94 ± 0.02°
• γ: 90°
• Cell volume: 707.941 ų
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 7
• Weighted residual factors for significantly intense reflections: 7
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No