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Information card for entry 1551775
Preview
| Coordinates | 1551775.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 F N5 O3 |
|---|---|
| Calculated formula | C14 H16 F N5 O3 |
| SMILES | Fc1cc2C(=O)C(C(=O)NN)=CN(c2c(OC)c1NN)C1CC1 |
| Title of publication | Synthesis and Crystal Structure of 1-Cyclopropyl-6-fluoro-7-hydrozino-8-methoxyl-1,4-dihydro-4-oxo-3-quinoline carbohydrazide |
| Authors of publication | XU, Zhi-hong; LI, Xue-feng; WANG, Hong-sheng |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 19 |
| a | 7.9062 ± 0.0009 Å |
| b | 10.4189 ± 0.0012 Å |
| c | 10.5347 ± 0.0012 Å |
| α | 62.983 ± 0.002° |
| β | 70.57 ± 0.002° |
| γ | 76.828 ± 0.003° |
| Cell volume | 726.01 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0905 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1594 |
| 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 |
|---|---|---|---|
| 216387 (current) | 2019-06-20 | cif/ Adding structures of 1551775 via cif-deposit CGI script. |
1551775.cif |
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Users of the data should acknowledge the original authors of the
structural data.