Information card for entry 7119182

Structure parameters

• Formula: C39 H38 N O P S
• Calculated formula: C39 H38 N O P S
• SMILES: S(=O)(N([C@@H](c1ccccc1c1c2c(cccc2)cc2c1cccc2)CP(c1ccccc1)c1ccccc1)C)C(C)(C)C
• Title of publication: Enantioselective intermolecular cross Rauhut-Currier reactions of activated alkenes with acrolein
• Authors of publication: Wei Zhou; Peng Chen; Mengna Tao; Xiao Su; Qingjie Zhao; Junliang Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7612
• a: 8.966 ± 0.0004 Å
• b: 10.6824 ± 0.0004 Å
• c: 34.6972 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3323.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.074
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No