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Information card for entry 7236627
Preview
| Coordinates | 7236627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236627.cif |
| 236367 | 2019-11-24 | cif/ Adding structures of 7236627 via cif-deposit CGI script. |
7236627.cif |
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Users of the data should acknowledge the original authors of the
structural data.