Information card for entry 1553451

Structure parameters

• Formula: C22 H17 N O2 S
• Calculated formula: C22 H17 N O2 S
• Title of publication: Copper-catalyzed tandem arylation‒cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles
• Authors of publication: Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 870
• a: 11.0789 ± 0.0015 Å
• b: 11.6353 ± 0.0015 Å
• c: 16.29 ± 0.003 Å
• α: 93.084 ± 0.009°
• β: 106.29 ± 0.01°
• γ: 115.259 ± 0.008°
• Cell volume: 1786.1 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0546
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No