Information card for entry 1507593

Structure parameters

• Formula: C22 H25 N O3 S2
• Calculated formula: C22 H25 N O3 S2
• SMILES: S1C(=S)C(=C(O)\C)\[C@H]([C@]1(C(=O)Nc1ccccc1)C)c1ccccc1.OCC
• Title of publication: Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.
• Authors of publication: Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2038 - 2041
• a: 8.6356 ± 0.0006 Å
• b: 14.1494 ± 0.001 Å
• c: 17.9588 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2194.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No