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Information card for entry 1571499
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| Coordinates | 1571499.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 23007z |
|---|---|
| Chemical name | 13-Nitrobenzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenoxazine |
| Formula | C22 H11 N3 O3 S |
| Calculated formula | C22 H11 N3 O3 S |
| Title of publication | 13-Nitrobenzo[a][1,4]benzothiazino[3,2-c]phenoxazine |
| Authors of publication | Bader, Mamoun M.; Fiester, Cameron; Pham, Phuong-Truc T.; Bradely, Amy; Nazzal, Amjad |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 4 |
| a | 6.7497 ± 0.0009 Å |
| b | 52.478 ± 0.007 Å |
| c | 18.832 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6670.5 ± 1.6 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0366 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291393 (current) | 2024-04-27 | cif/ Adding structures of 1571499 via cif-deposit CGI script. |
1571499.cif |
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Users of the data should acknowledge the original authors of the
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