Information card for entry 7123376

Structure parameters

• Formula: C28 H40 F N O3 S
• Calculated formula: C28 H40 F N O3 S
• Title of publication: Highly diastereoselective synthesis of enantioenriched anti-alpha-allyl-beta-fluoroamines
• Authors of publication: Pyne, Stephen G.; Chervis, Philip; Wangngae, Sirilak; Thaima, Thanaphat; Carroll, Anthony; Willis, Anthony; Pattarawarapan, Mookda
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.8449 ± 0.0001 Å
• b: 13.5001 ± 0.0001 Å
• c: 29.2689 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2704.65 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No