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Information card for entry 1551650
Preview
| Coordinates | 1551650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 N4 O |
|---|---|
| Calculated formula | C19 H14 N4 O |
| SMILES | c1c(cc2ccccc2n1)NC(=O)Nc1cnc2ccccc2c1 |
| Title of publication | Crystal Structure of 1,3-Di(quinolin-3-yl)urea |
| Authors of publication | HAO, Yongjing; XIE, Juan; MENG, Xiaocai; GAO, Xiaorui |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2014 |
| Journal volume | 30 |
| Journal issue | 0 |
| Pages of publication | 27 |
| a | 7.9513 ± 0.0008 Å |
| b | 23.364 ± 0.002 Å |
| c | 8.3103 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1543.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0813 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216261 (current) | 2019-06-20 | cif/ Adding structures of 1551650 via cif-deposit CGI script. |
1551650.cif |
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