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Information card for entry 8107559
Preview
| Coordinates | 8107559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H5 N5 O5 |
|---|---|
| Calculated formula | C10 H5 N5 O5 |
| Title of publication | The crystal structure of 5,7-dinitropyrazolo[5,1-b]quinazolin-9(4H)-one, C10H5N5O5 |
| Authors of publication | Jin, Shouwen; Zhang, Qiong; Zhen, Yaoqi; Shi, Chengzhe; Wang, Daqi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 4 |
| Pages of publication | 775 - 777 |
| a | 10.9546 ± 0.0011 Å |
| b | 7.3433 ± 0.0008 Å |
| c | 13.2567 ± 0.0015 Å |
| α | 90° |
| β | 102.972 ± 0.005° |
| γ | 90° |
| Cell volume | 1039.19 ± 0.19 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0959 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.1489 |
| Weighted residual factors for all reflections included in the refinement | 0.1622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286558 (current) | 2023-09-27 | cif/ Adding structures of 8107559 via cif-deposit CGI script. |
8107559.cif |
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Users of the data should acknowledge the original authors of the
structural data.