Information card for entry 4036926

Structure parameters

• Formula: C22 H17 N O2 S
• Calculated formula: C22 H17 N O2 S
• SMILES: S1(=O)(=O)NC2(c3c1cccc3)c1ccccc1C(=C2c1ccccc1)C
• Title of publication: Cp*Co(III)-Catalyzed C-H Alkenylation/Annulation to Afford Spiro Indenyl Benzosultam.
• Authors of publication: Liu, Hui; Li, Jie; Xiong, Miao; Jiang, Jijun; Wang, Jun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 14
• Pages of publication: 6093 - 6099
• a: 8.8896 ± 0.0007 Å
• b: 9.8927 ± 0.0007 Å
• c: 11.5646 ± 0.0012 Å
• α: 94.747 ± 0.004°
• β: 112.49 ± 0.003°
• γ: 110.443 ± 0.003°
• Cell volume: 852.55 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No