Information card for entry 1549338

Structure parameters

• Formula: C19 H21 O2 S
• Calculated formula: C19 H21 O2 S
• SMILES: s1c([C@@](C)(CO)[C@](O)(C)c2ccccc2)cc2c1cccc2
• Title of publication: Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.
• Authors of publication: Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 4992 - 4998
• a: 6.612 ± 0.0006 Å
• b: 7.8997 ± 0.0007 Å
• c: 15.4119 ± 0.0013 Å
• α: 90°
• β: 92.455 ± 0.003°
• γ: 90°
• Cell volume: 804.27 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No