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Information card for entry 1551779
Preview
| Coordinates | 1551779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H10 Cl3 N3 O |
|---|---|
| Calculated formula | C9 H10 Cl3 N3 O |
| SMILES | Clc1c(CC(=O)NC(=[NH2+])N)c(Cl)ccc1.[Cl-] |
| Title of publication | Addendum: Crystal Structure of Guanfacine Hydrochloride [X-ray Structure Analysis Online, Vol. 25, p. 3 (2009)] |
| Authors of publication | KAWAMURA, Tomoko; HIRAYAMA, Noriaki |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 47 |
| a | 14.439 ± 0.003 Å |
| b | 8.3664 ± 0.0018 Å |
| c | 39.656 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4790.5 ± 1.7 Å3 |
| Cell temperature | 293.1 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216391 (current) | 2019-06-20 | cif/ Adding structures of 1551779 via cif-deposit CGI script. |
1551779.cif |
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