Information card for entry 1568405

Structure parameters

• Formula: C18 H18 N2 O3 S2
• Calculated formula: C18 H18 N2 O3 S2
• Title of publication: Catalytic enantioselective alkenylation-heteroarylation of olefins: stereoselective syntheses of 5-7 membered azacycles and oxacycles.
• Authors of publication: Ma, Zhaoming; Sun, Lantian; Zhou, Jianrong Steve
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3010 - 3017
• a: 10.53468 ± 0.00011 Å
• b: 6.40021 ± 0.00007 Å
• c: 13.58053 ± 0.00014 Å
• α: 90°
• β: 106.401 ± 0.0011°
• γ: 90°
• Cell volume: 878.396 ± 0.017 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No