Information card for entry 1566825

Structure parameters

• Formula: C26 H23 N S
• Calculated formula: C26 H23 N S
• Title of publication: Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines
• Authors of publication: Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 23.8497 ± 0.0009 Å
• b: 21.8615 ± 0.0007 Å
• c: 7.9142 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4126.4 ± 0.3 ų
• Cell temperature: 201 ± 40 K
• Ambient diffraction temperature: 201 ± 40 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No