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Information card for entry 2200508
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| Coordinates | 2200508.cif |
|---|---|
| Structure factors | 2200508.hkl |
| Original IUCr paper | HTML |
| Formula | C12 H7 Br N2 O |
|---|---|
| Calculated formula | C12 H7 Br N2 O |
| Title of publication | 2-Bromobenzo[<i>c</i>]cinnoline 6-oxide |
| Authors of publication | Hökelek, Tuncer; Kılıç, Emine; Dinçer, Sebla |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 7 |
| Pages of publication | o645 - o647 |
| a | 14.446 ± 0.003 Å |
| b | 3.963 ± 0.001 Å |
| c | 17.807 ± 0.007 Å |
| α | 90° |
| β | 98.59 ± 0.02° |
| γ | 90° |
| Cell volume | 1008 ± 0.5 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.