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Information card for entry 4070889
Preview
| Coordinates | 4070889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C22 H26 N P |
|---|---|
| Calculated formula | C22 H26 N P |
| SMILES | P(c1ccccc1)(c1ccccc1)C1=C(/C=N/C(C)(C)C)CCC1 |
| Title of publication | Palladium(II) 3-Iminophosphine Complexes as Intermolecular Hydroamination Catalysts for the Formation of Imines and Enamines |
| Authors of publication | Shaffer, Andrew R.; Schmidt, Joseph A. R. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 6 |
| Pages of publication | 1259 |
| a | 9.6727 ± 0.0018 Å |
| b | 10.3984 ± 0.0019 Å |
| c | 10.748 ± 0.002 Å |
| α | 114.074 ± 0.003° |
| β | 91.19 ± 0.003° |
| γ | 102.036 ± 0.003° |
| Cell volume | 958.5 ± 0.3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0504 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.1181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4070889.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4070889.cif |
| 178597 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08. |
4070889.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070889.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070889.cif |
| 42828 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070889, 4070890, 4070891, 4070892 via cif-deposit CGI script. |
4070889.cif |
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Users of the data should acknowledge the original authors of the
structural data.