Information card for entry 7123149

Structure parameters

• Formula: C22 H21 Cl N2 S
• Calculated formula: C22 H21 Cl N2 S
• Title of publication: Metal- and Oxidizing-Reagent-Free Anodic para-Selective Amination of Anilines with Phenothiazines
• Authors of publication: Wu, Yan-Chen; Jiang, Shuai-Shuai; Song, Ren-Jie; Li, Jin-Heng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.5339 ± 0.0018 Å
• b: 9.3187 ± 0.0018 Å
• c: 22.031 ± 0.004 Å
• α: 90°
• β: 99.408 ± 0.003°
• γ: 90°
• Cell volume: 1931 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No