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Information card for entry 1551784
Preview
| Coordinates | 1551784.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 N4 |
|---|---|
| Calculated formula | C19 H20 N4 |
| SMILES | N(CCCN[C@@H](C#N)c1ccccc1)[C@@H](C#N)c1ccccc1.N(CCCN[C@H](C#N)c1ccccc1)[C@H](C#N)c1ccccc1 |
| Title of publication | Crystal and Molecular Structure of N,N-Propylene-bis(2-phenyl)glycinonitrile |
| Authors of publication | GOLCHOUBIAN, Hamid; EBRAHIMZADEH, Zeinab |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 57 |
| a | 9.0471 ± 0.0003 Å |
| b | 9.8171 ± 0.0004 Å |
| c | 11.3071 ± 0.0004 Å |
| α | 113.24 ± 0.001° |
| β | 93.227 ± 0.001° |
| γ | 111.903 ± 0.001° |
| Cell volume | 831.42 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216396 (current) | 2019-06-20 | cif/ Adding structures of 1551784 via cif-deposit CGI script. |
1551784.cif |
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