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Information card for entry 1551807
Preview
| Coordinates | 1551807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 N4 |
|---|---|
| Calculated formula | C20 H22 N4 |
| SMILES | C(N[C@H](C#N)c1ccccc1)CCCN[C@@H](C#N)c1ccccc1 |
| Title of publication | Crystal Structure of N,N-Buthylene-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 | 59 |
| a | 8.4879 ± 0.0006 Å |
| b | 13.9842 ± 0.001 Å |
| c | 7.316 ± 0.0005 Å |
| α | 90° |
| β | 96.366 ± 0.001° |
| γ | 90° |
| Cell volume | 863.03 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1568 |
| Weighted residual factors for all reflections included in the refinement | 0.1699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216420 (current) | 2019-06-20 | cif/ Adding structures of 1551807 via cif-deposit CGI script. |
1551807.cif |
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