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Information card for entry 1571499
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Coordinates | 1571499.cif |
---|---|
Original IUCr paper | HTML |
Common name | 23007z |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1571499.html
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