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Information card for entry 7009812
Preview
| Coordinates | 7009812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H17 N2 O2 P |
|---|---|
| Calculated formula | C18 H17 N2 O2 P |
| SMILES | P(=O)(CNc1ncccc1O)(c1ccccc1)c1ccccc1 |
| Title of publication | The synthesis and co-ordination chemistry of new functionalised pyridylphosphines derived from Ph2PCH2OH † |
| Authors of publication | Durran, Sean E.; Smith, Martin B.; Slawin, Alexandra M. Z.; Steed, Jonathan W. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 16 |
| Pages of publication | 2771 |
| a | 8.7043 ± 0.0006 Å |
| b | 10.8681 ± 0.0008 Å |
| c | 17.2011 ± 0.0011 Å |
| α | 90.024 ± 0.004° |
| β | 91.491 ± 0.004° |
| γ | 100.777 ± 0.004° |
| Cell volume | 1597.95 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1032 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7009812.cif |
| 179802 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/98. |
7009812.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009812.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009812.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009812.cif |
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Users of the data should acknowledge the original authors of the
structural data.