Information card for entry 7156168

Structure parameters

• Formula: C33 H33 Br O4 S Se
• Calculated formula: C33 H33 Br O4 S Se
• Title of publication: Enantioselective addition of selenosulfonates to α,β-unsaturated ketones.
• Authors of publication: Luo, Shilong; Zhang, Nan; Wang, Zhen; Yan, Hailong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 2893 - 2901
• a: 7.9327 ± 0.0004 Å
• b: 18.8397 ± 0.0009 Å
• c: 22.3499 ± 0.0016 Å
• α: 90°
• β: 100.199 ± 0.005°
• γ: 90°
• Cell volume: 3287.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No