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Information card for entry 4347772
Preview
| Coordinates | 4347772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H32 N P |
|---|---|
| Calculated formula | C40 H32 N P |
| SMILES | P(C(=C\C=C(/N(c1ccccc1)c1ccccc1)c1ccccc1)/c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes. |
| Authors of publication | Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 4676 - 4682 |
| a | 9.7193 ± 0.0003 Å |
| b | 12.8184 ± 0.0003 Å |
| c | 13.9702 ± 0.0004 Å |
| α | 112.076 ± 0.002° |
| β | 97.104 ± 0.001° |
| γ | 106.481 ± 0.002° |
| Cell volume | 1493.78 ± 0.08 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4347772.cif |
| 232493 | 2019-11-23 | cif/ Adding structures of 4347771, 4347772, 4347773, 4347774 via cif-deposit CGI script. |
4347772.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.