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Information card for entry 7216888
Preview
| Coordinates | 7216888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,6-bis[(5'-diphenylphosphino)-2'-thienyl]pyridine |
|---|---|
| Formula | C37 H27 N P2 S2 |
| Calculated formula | C37 H27 N P2 S2 |
| SMILES | s1c(P(c2ccccc2)c2ccccc2)ccc1c1nc(ccc1)c1sc(P(c2ccccc2)c2ccccc2)cc1 |
| Title of publication | Novel diphenylphosphine derivatives of 2,2′-bithiophene, 2,2′:5′,2″-terthiophene, 2-(2′-thienyl)pyridine and 2,6-di-2′-thienylpyridine. Crystal structures of 5,5′-bis(diphenylphosphino)-2,2′-bithiophene, diphenyl{5-[6′-(diphenylphosphino)-2′-pyridyl]-2-thienyl}phosphine and 2,6-bis[5′-(diphenylphosphino)-2′-thienyl]pyridine |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
| Year of publication | 2001 |
| Journal issue | 24 |
| Pages of publication | 3352 |
| a | 9.032 ± 0.002 Å |
| b | 13.312 ± 0.003 Å |
| c | 13.577 ± 0.003 Å |
| α | 85.853 ± 0.018° |
| β | 82.694 ± 0.019° |
| γ | 73.772 ± 0.018° |
| Cell volume | 1553.5 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0589 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180499 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68. |
7216888.cif |
| 118544 | 2014-06-30 | cif/ Adding structures of 7216887, 7216888, 7216889 via cif-deposit CGI script. |
7216888.cif |
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