Information card for entry 4034053

Structure parameters

• Formula: C24 H23 N O4 S
• Calculated formula: C24 H23 N O4 S
• SMILES: S(=O)(=O)(N1C(=O)C[C@H](c2ccccc2)[C@H]1[C@@H](O)c1ccccc1)c1ccc(cc1)C
• Title of publication: Asymmetric Synthesis of Enantioenriched 6-Hydroxyl Butyrolactams Promoted by N-Heterocyclic Carbene.
• Authors of publication: Hu, Zhouli; Zhu, Ying; Fu, Zhenqian; Huang, Wei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 16
• Pages of publication: 10328 - 10337
• a: 9.0345 ± 0.0006 Å
• b: 13.5168 ± 0.0006 Å
• c: 9.3716 ± 0.0006 Å
• α: 90°
• β: 113.131 ± 0.008°
• γ: 90°
• Cell volume: 1052.43 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0394
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No