Information card for entry 4003519

Structure parameters

• Formula: C17 H19 F6 N O2 P S
• Calculated formula: C17 H19 F6 N O2 P S
• Title of publication: Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation
• Authors of publication: Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 11.2329 ± 0.0004 Å
• b: 6.755 ± 0.0002 Å
• c: 24.0196 ± 0.0009 Å
• α: 90°
• β: 92.993 ± 0.001°
• γ: 90°
• Cell volume: 1820.08 ± 0.11 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No