Information card for entry 1566827

Structure parameters

• Formula: C18 H10 F6 O6 S3
• Calculated formula: C18 H10 F6 O6 S3
• 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: 8.4229 ± 0.0002 Å
• b: 10.6178 ± 0.0002 Å
• c: 12.2594 ± 0.0002 Å
• α: 100.265 ± 0.002°
• β: 102.985 ± 0.002°
• γ: 94.205 ± 0.002°
• Cell volume: 1043.88 ± 0.04 ų
• Cell temperature: 230 ± 80 K
• Ambient diffraction temperature: 230 ± 80 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: 0.0355
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No