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Information card for entry 4341820
Preview
| Coordinates | 4341820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H46 P6 |
|---|---|
| Calculated formula | C58 H46 P6 |
| SMILES | C12=CC(C=C1)=P(P=P(C1=CC(C=C1)=P(c1ccccc1)(P=P2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)C1C=CCC=C1)(c1ccccc1)c1ccccc1 |
| Title of publication | Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers. |
| Authors of publication | Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Pages of publication | 141201074418004 |
| a | 8.8331 ± 0.0007 Å |
| b | 11.4721 ± 0.001 Å |
| c | 12.3802 ± 0.001 Å |
| α | 74.988 ± 0.001° |
| β | 72.738 ± 0.001° |
| γ | 80.527 ± 0.001° |
| Cell volume | 1151.9 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1433 |
| Weighted residual factors for all reflections included in the refinement | 0.1764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.21 |
| 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. |
4341820.cif |
| 179521 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18. |
4341820.cif |
| 128231 | 2014-12-06 | cif/ Adding structures of 4341820 via cif-deposit CGI script. |
4341820.cif |
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Users of the data should acknowledge the original authors of the
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