Information card for entry 7156032

Structure parameters

• Formula: C23 H17 Cl N2 O3 S2
• Calculated formula: C23 H17 Cl N2 O3 S2
• SMILES: Clc1ccc(S(=O)(=O)N2c3n(c4ccccc4c3Sc3ccccc3CC2=O)C)cc1
• Title of publication: Convenient Synthesis of 2-Amino-3-(arylthio)indoles via Rh-Catalyzed Reaction of 3-Diazoindol-2-imines with Thioesters
• Authors of publication: Ma, Fanghui; Qian, Jing; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2017
• a: 31.822 ± 0.0018 Å
• b: 31.822 ± 0.0018 Å
• c: 13.3046 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11667.8 ± 1 ų
• Cell temperature: 170.1 K
• Ambient diffraction temperature: 170.1 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No