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Information card for entry 4071785
Preview
| Coordinates | 4071785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H31 N O W |
|---|---|
| Calculated formula | C22 H31 N O W |
| SMILES | [W]1234567(N=O)([c]8([c]5([c]7([c]6([c]18C)C)C)C)C)C1[CH]2=[CH]4[C@H]([C@H]2[C@@H]3C=CCC2)CC1.[W]1234567(N=O)([c]8([c]5([c]7([c]6([c]18C)C)C)C)C)C1[CH]2=[CH]4[C@@H]([C@@H]2[C@H]3C=CCC2)CC1 |
| Title of publication | Transformations of Cyclic Olefins Mediated by Tungsten Nitrosyl Complexes |
| Authors of publication | Buschhaus, Miriam S. A.; Pamplin, Craig B.; Blackmore, Ian J.; Legzdins, Peter |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 4724 |
| a | 8.1917 ± 0.0006 Å |
| b | 9.7406 ± 0.0009 Å |
| c | 13.6903 ± 0.0013 Å |
| α | 73.624 ± 0.003° |
| β | 89.272 ± 0.003° |
| γ | 65.724 ± 0.003° |
| Cell volume | 948.71 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0185 |
| Residual factor for significantly intense reflections | 0.0152 |
| Weighted residual factors for significantly intense reflections | 0.033 |
| Weighted residual factors for all reflections included in the refinement | 0.0335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17. |
4071785.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071785.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071785.cif |
| 44040 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071785 via cif-deposit CGI script. |
4071785.cif |
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Users of the data should acknowledge the original authors of the
structural data.