Information card for entry 7151980

Structure parameters

• Formula: C32 H33 N O2 S
• Calculated formula: C32 H33 N O2 S
• SMILES: S(=O)(=O)(N1C[C@H](c2ccccc2)[C@@H]([C@H](c2ccccc2)CC)[C@H]1c1ccccc1)c1ccc(cc1)C
• Title of publication: Diastereoselective and enantioselective capture of chiral zinc enolate using nitroolefins: a rapid access to chiral γ-nitro carbonyl compounds.
• Authors of publication: Ni, Cheng-Yan; Kan, Sha-Sha; Liu, Quan-Zhong; Kang, Tai-Ran
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 6211 - 6214
• a: 7.4163 ± 0.0003 Å
• b: 14.0432 ± 0.0006 Å
• c: 25.9274 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2700.3 ± 0.19 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No