Information card for entry 1562057

Structure parameters

• Formula: C23 H30 O5 S Si
• Calculated formula: C23 H30 O5 S Si
• SMILES: [Si]([C@](SCCC(=O)OC)(O)C(=O)OC(C)(C)C)(C)(c1ccccc1)c1ccccc1
• Title of publication: Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters.
• Authors of publication: Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 7498 - 7503
• a: 9.2424 ± 0.0003 Å
• b: 8.7534 ± 0.0003 Å
• c: 15.2178 ± 0.0004 Å
• α: 90°
• β: 96.784 ± 0.001°
• γ: 90°
• Cell volume: 1222.54 ± 0.07 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0244
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No