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Information card for entry 7232079
Preview
| Coordinates | 7232079.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H9 N4 O8 P |
|---|---|
| Calculated formula | C6 H9 N4 O8 P |
| Title of publication | Multicomponent crystals of nitrofurazone – when more is less |
| Authors of publication | Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 7 |
| Pages of publication | 1091 |
| a | 4.4913 ± 0.0009 Å |
| b | 10.893 ± 0.002 Å |
| c | 12.672 ± 0.003 Å |
| α | 106.87 ± 0.03° |
| β | 99.66 ± 0.03° |
| γ | 92.3 ± 0.03° |
| Cell volume | 582.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.033 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.0812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232079.cif |
| 223656 | 2019-11-07 | cif/ Updating files of 7232079, 7232080, 7232081, 7232082, 7232083 Original log message: Adding full bibliography for 7232079--7232083.cif. |
7232079.cif |
| 212922 | 2019-01-11 | cif/ Adding structures of 7232079, 7232080, 7232081, 7232082, 7232083 via cif-deposit CGI script. |
7232079.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.