Information card for entry 7119045

Structure parameters

• Formula: C23 H17 N O4 S
• Calculated formula: C23 H17 N O4 S
• SMILES: S([C@](N1C(=O)c2ccccc2C1=O)(c1ccccc1)C(=O)OC)c1ccccc1
• Title of publication: The Rh(II)-catalyzed formal N-S bond insertion reaction of aryldiazoacetates into N-phenyl-sulfenyl phthalimide
• Authors of publication: Zhuang Song; Yizhou Wu; Tao Xin; Chao Jin; Xiaoan Wen; Hongbin Sun; Qing-Long Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6079
• a: 8.33 ± 0.0017 Å
• b: 12.431 ± 0.003 Å
• c: 9.528 ± 0.0019 Å
• α: 90°
• β: 93.09 ± 0.03°
• γ: 90°
• Cell volume: 985.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1107
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No