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Information card for entry 4104780
Preview
| Coordinates | 4104780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C46 H50 Mo N2 O |
|---|---|
| Calculated formula | C46 H50 Mo N2 O |
| SMILES | [Mo](=Nc1c(cccc1C(C)C)C(C)C)(n1c(ccc1C)C)(=CC(C)(C)c1ccccc1)Oc1c(cccc1c1ccccc1)c1ccccc1 |
| Title of publication | Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes |
| Authors of publication | Yeon-Ju Lee; Richard R. Schrock; Amir H. Hoveyda |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 10652 - 10661 |
| a | 43.321 ± 0.007 Å |
| b | 12.988 ± 0.002 Å |
| c | 14.383 ± 0.002 Å |
| α | 90° |
| β | 106.856 ± 0.002° |
| γ | 90° |
| Cell volume | 7745 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.048 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4104780.cif |
| 178793 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/47. |
4104780.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104780.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104780.cif |
| 29810 | 2011-11-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4104780 via cif-deposit CGI script. |
4104780.cif |
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Users of the data should acknowledge the original authors of the
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