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Information card for entry 4320476
Preview
| Coordinates | 4320476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Ligpo(1) |
|---|---|
| Formula | C19 H24 N2 O3.5 P |
| Calculated formula | C19 H24 N2 O3.5 P |
| SMILES | P(=O)(OCCn1nc(cc1C)C)(c1ccccc1)c1ccccc1.O.O |
| Title of publication | Tethered Pyrazolyl Phosphinate: Pyrazolyl-N- and Phosphoryl-O-Metal Coordination in Ph2P(O){OCH2CH2(3,5-Me2Pz)} |
| Authors of publication | Savariraj Kingsley; Vadapalli Chandrasekhar; Christopher D. Incarvito; Matthew K. Lam; Arnold L. Rheingold |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5890 - 5896 |
| a | 21.897 ± 0.005 Å |
| b | 10.009 ± 0.002 Å |
| c | 19.147 ± 0.009 Å |
| α | 90° |
| β | 111.4 ± 0.03° |
| γ | 90° |
| Cell volume | 3907 ± 2 Å3 |
| Cell temperature | 253 ± 2 K |
| Ambient diffraction temperature | 253 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0592 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.1509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4320476.cif |
| 258736 | 2020-11-05 | cif/4 Fixing wrong Z values and formulae |
4320476.cif |
| 179307 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/04. |
4320476.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320476.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320476.cif |
| 17672 | 2011-04-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4320476 via cif-deposit CGI script. |
4320476.cif |
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