Information card for entry 1507594

Structure parameters

• Formula: C16 H17 N O2 S2
• Calculated formula: C16 H17 N O2 S2
• SMILES: S=C1S[C@@](C(=O)N1c1ccccc1)(C)[C@H]1CCCC(=O)C1
• 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: 13.485 ± 0.0011 Å
• b: 16.4869 ± 0.0014 Å
• c: 7.219 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1605 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No