Information card for entry 4036624

Structure parameters

• Formula: C20 H27 N O5 S
• Calculated formula: C20 H27 N O5 S
• SMILES: S1(=O)(=O)N([C@H]2[C@]3(C1)CC[C@H](C2)C3(C)C)C(=O)[C@H](O)Cc1cccc(OC)c1
• Title of publication: Stereoselective α-Hydroxylation of Amides Using Oppolzer's Sultam as Chiral Auxiliary.
• Authors of publication: Zhang, Lumin; Zhu, Lili; Yang, Jun; Luo, Jisheng; Hong, Ran
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 9
• Pages of publication: 3890 - 3900
• a: 11.5968 ± 0.0012 Å
• b: 8.2171 ± 0.0009 Å
• c: 21.456 ± 0.002 Å
• α: 90°
• β: 104.481 ± 0.002°
• γ: 90°
• Cell volume: 1979.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No