Information card for entry 1100242

Structure parameters

• Chemical name: N-Phenyl-2-benzylthiobutanamide
• Formula: C17 H19 N S
• Calculated formula: C17.5 H22 N S
• Title of publication: Asymmetric Synthesis of a Chiral Secondary Grignard Reagent
• Authors of publication: Hoffmann, Reinhard W.; Hölzer, Bettina; Knopff, Oliver; Harms, Klaus
• Journal of publication: Angewandte Chemie, International Edition
• Year of publication: 2000
• Journal volume: 39
• Journal issue: 17
• Pages of publication: 3072 - 3074
• a: 9.56 ± 0.005 Å
• b: 18.546 ± 0.007 Å
• c: 9.671 ± 0.003 Å
• α: 90°
• β: 119 ± 0.03°
• γ: 90°
• Cell volume: 1499.68 ų
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 4
• 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: 5.82
• Weighted residual factors for significantly intense reflections: 5.82
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No