Information card for entry 7159140

Structure parameters

• Formula: C21 H17 N S2
• Calculated formula: C21 H17 N S2
• Title of publication: Three-component selective synthesis of phenothiazines and bis-phenothiazines under metal-free conditions.
• Authors of publication: Chen, Shanping; Li, Zhuoqin; Hu, Kai; Feng, Wei; Mao, Guojiang; Xiao, Fuhong; Deng, Guo-Jun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1920 - 1926
• a: 7.6322 ± 0.0005 Å
• b: 14.823 ± 0.0011 Å
• c: 15.0281 ± 0.0012 Å
• α: 83.056 ± 0.007°
• β: 82.898 ± 0.006°
• γ: 89.355 ± 0.006°
• Cell volume: 1674.7 ± 0.2 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No