Information card for entry 7109419

Structure parameters

• Formula: C24 H20 N2 O2 S
• Calculated formula: C24 H20 N2 O2 S
• SMILES: c1(ccc2ccccc2c1)S[C@H]1[C@@]2(C=CC(=N\O)\C1)C(=O)N(c1c2cccc1)C
• Title of publication: Organocatalytic asymmetric desymmetrization: efficient construction of spirocyclic oxindoles bearing a unique all-carbon quaternary stereogenic center via sulfa-Michael addition
• Authors of publication: Lu Yao; Kang Liu; Hai-Yan Tao; Guo-Fu Qiu; Xiang Zhou; Chun-Jiang Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6078
• a: 8.8678 ± 0.0009 Å
• b: 9.3161 ± 0.0009 Å
• c: 24.972 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2063 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0851
• 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