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Information card for entry 3000485
Preview
No preview available: structure is on hold until 2024-07-21
| Coordinates | Coordinates are not available: structure is on hold until 2024-07-21 |
|---|
| Chemical name | 3?-oxo-1,3,3?,4?-tetrahydro-1?H-spiro[imidazo[1,2-a] quinoline-2,2?-quinoxalin]-10-ium bromide |
|---|---|
| Formula | C21 H22 Br N5 O2 |
| Authors of publication | Aidar T. Gubaidullin |
| Journal of publication | To be published in Russian Chemical Bulletin |
| a | 9.1857 ± 0.0007 Å |
| b | 9.778 ± 0.0008 Å |
| c | 11.8397 ± 0.0009 Å |
| α | 90.952 ± 0.003° |
| β | 100.32 ± 0.002° |
| γ | 97.127 ± 0.003° |
| Cell volume | 1037.31 ± 0.14 Å3 |
| Cell temperature | 111 ± 2 K |
| Ambient diffraction temperature | 111 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0273 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | No |
Version history
Not available for prepublication material.
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Users of the data should acknowledge the original authors of the
structural data.