Information card for entry 7236627

Structure parameters

• Formula: C16 H17 N O2 S
• Calculated formula: C16 H17 N O2 S
• Title of publication: A stable two-electron-donating phenothiazine for application in nonaqueous redox flow batteries
• Authors of publication: Kowalski, Jeffrey A.; Casselman, Matthew D.; Kaur, Aman Preet; Milshtein, Jarrod D.; Elliott, Corrine F.; Modekrutti, Subrahmanyam; Attanayake, N. Harsha; Zhang, Naijao; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 46
• Pages of publication: 24371
• a: 8.4668 ± 0.0003 Å
• b: 7.9589 ± 0.0003 Å
• c: 10.4031 ± 0.0004 Å
• α: 90°
• β: 92.847 ± 0.002°
• γ: 90°
• Cell volume: 700.16 ± 0.05 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No