Information card for entry 7106293

Structure parameters

• Formula: C30 H28 O4 S
• Calculated formula: C30 H28 O4 S
• SMILES: S(=O)(=O)(OC[C@@H](C1c2c(Oc3c1cccc3)cccc2)[C@H](c1ccccc1)C)c1ccc(cc1)C
• Title of publication: The Versitale Roles Performance of Ammonium Salt Catalysts in Enantioselective Reduction and Alkylation of a,b-Unsaturated Aldehydes: Iminium Catalysis, Enamine Catalysis and Acid Catalysis
• Authors of publication: Shi-Kai Xiang; Bo Zhang; Li-He Zhang; Yuxin Cui; Ning Jiao
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5007
• a: 6.2731 ± 0.0002 Å
• b: 16.1518 ± 0.0006 Å
• c: 24.6855 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2501.18 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No