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Information card for entry 4064507
Preview
| Coordinates | 4064507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C58 H84 N2 O W |
|---|---|
| Calculated formula | C58 H84 N2 O W |
| SMILES | [W]1(Oc2c(cccc2c2c(cc(cc2C(C)C)C(C)C)C(C)C)c2c(cc(cc2C(C)C)C(C)C)C(C)C)(=Nc2cc(cc(c2)C)C)(n2cccc2)CCC1.CCCCCCC |
| Title of publication | Room Temperature Z-Selective Homocoupling of α Olefins by Tungsten Catalysts. |
| Authors of publication | Marinescu, Smaranda C.; Schrock, Richard R.; Müller, Peter; Takase, Michael K.; Hoveyda, Amir H. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 7 |
| Pages of publication | 1780 - 1782 |
| a | 9.0469 ± 0.0002 Å |
| b | 13.1911 ± 0.0003 Å |
| c | 23.8059 ± 0.0005 Å |
| α | 82.7973 ± 0.0012° |
| β | 86.6985 ± 0.0013° |
| γ | 70.7499 ± 0.0013° |
| Cell volume | 2660.55 ± 0.1 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 | 0.0207 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.0508 |
| Weighted residual factors for all reflections included in the refinement | 0.0509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4064507.cif |
| 178539 | 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 4/06/45. |
4064507.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064507.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064507.cif |
| 32932 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064507, 4064508, 4064509 via cif-deposit CGI script. |
4064507.cif |
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Users of the data should acknowledge the original authors of the
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