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Information card for entry 7218500
Preview
Coordinates | 7218500.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H11 Br2 N O |
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Calculated formula | C13 H11 Br2 N O |
SMILES | [n+]12c(cc3c(ccc(c3)Br)c1)cccc2.O.[Br-] |
Title of publication | Solid-state photoreactivity of 9-substituted acridizinium bromide salts |
Authors of publication | Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 47 |
Pages of publication | 10830 |
a | 7.3152 ± 0.0006 Å |
b | 9.7141 ± 0.0009 Å |
c | 10.352 ± 0.002 Å |
α | 68.687 ± 0.003° |
β | 86.209 ± 0.003° |
γ | 68.298 ± 0.004° |
Cell volume | 634.75 ± 0.15 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1223 |
Residual factor for significantly intense reflections | 0.0799 |
Weighted residual factors for significantly intense reflections | 0.2424 |
Weighted residual factors for all reflections included in the refinement | 0.2541 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/7218500.html
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