Information card for entry 1547026

Structure parameters

• Formula: C23 H22 N2 O2 S
• Calculated formula: C23 H22 N2 O2 S
• SMILES: S(=O)(=O)(Nc1n(c2ccccc2c1c1ccc(cc1)C)C)c1ccc(cc1)C
• Title of publication: Preparation of 2-Amino-3-arylindoles via Pd-Catalyzed Coupling between 3-Diazoindolin-2-imines and Arylboronic Acids as well as Their Extension to 3-Aryl-3-fluoroindolin-2-imines.
• Authors of publication: Ding, Hualong; Bai, Songlin; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4604 - 4607
• a: 28.1291 ± 0.0017 Å
• b: 11.3338 ± 0.0005 Å
• c: 14.8299 ± 0.0008 Å
• α: 90°
• β: 91.255 ± 0.005°
• γ: 90°
• Cell volume: 4726.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No