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Information card for entry 2108597
Preview
| Coordinates | 2108597.cif |
|---|---|
| Structure factors | 2108597.hkl |
| Original paper (by DOI) | HTML |
| Formula | C20 H16 N8 O10 |
|---|---|
| Calculated formula | C20 H16 N8 O10 |
| Title of publication | Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography |
| Authors of publication | Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| a | 22.183 ± 0.022 Å |
| b | 12.546 ± 0.007 Å |
| c | 5.3092 ± 0.0016 Å |
| α | 51.074 ± 0.003° |
| β | 92.16 ± 0.03° |
| γ | 97.31 ± 0.11° |
| Cell volume | 1138.5 ± 1.4 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Ambient diffracton pressure | 100 kPa |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Weighted residual factors for significantly intense reflections | 0.1323 |
| RFsqd | 0 |
| Goodness-of-fit parameter for all reflections | 10.274 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5405 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250840 (current) | 2020-04-16 | cif/ hkl/ Adding structures of 2108596, 2108597 via cif-deposit CGI script. |
2108597.cif 2108597.hkl |
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Users of the data should acknowledge the original authors of the
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