Information card for entry 7130505

Structure parameters

• Formula: C23 H16 Cl2 F N O4 S
• Calculated formula: C23 H16 Cl2 F N O4 S
• Title of publication: Catalytic Asymmetric Addition to Cyclic N-Acyl-iminium: Access to Sulfone Bearing Contiguous Quaternary Stereocenters
• Authors of publication: Bhosale, Viraj; Cisarova, Ivana; Kamlar, Martin; Vesely, Jan
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.476 ± 0.0005 Å
• b: 14.1768 ± 0.0007 Å
• c: 14.4461 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2145.48 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0203
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No