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Information card for entry 4063439
Preview
| Coordinates | 4063439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H68 P2 |
|---|---|
| Calculated formula | C54 H68 P2 |
| SMILES | C(c1cc2ccccc2cc1)P(c1c(cc(cc1C(C)C)C(C)C)C(C)C)CCP(Cc1cc2ccccc2cc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C |
| Title of publication | Platinum-Catalyzed Asymmetric Alkylation of Bis(isitylphosphino)ethane: Stereoselectivity Reversal in Successive Formation of Two P−C Bonds |
| Authors of publication | Chapp, Timothy W.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 378 |
| a | 9.5176 ± 0.0008 Å |
| b | 10.9546 ± 0.0009 Å |
| c | 12.5468 ± 0.0011 Å |
| α | 64.477 ± 0.001° |
| β | 80.391 ± 0.001° |
| γ | 73.59 ± 0.001° |
| Cell volume | 1130.86 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.037 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4063439.cif |
| 178529 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/34. |
4063439.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063439.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063439.cif |
| 19490 | 2011-05-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4063437, 4063438, 4063439, 4063440, 4063441 via cif-deposit CGI script. |
4063439.cif |
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Users of the data should acknowledge the original authors of the
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