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Information card for entry 7120803
Preview
| Coordinates | 7120803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | compound 3 |
|---|---|
| Formula | C23 H29 F3 N2 O3 S |
| Calculated formula | C23 H29 F3 N2 O3 S |
| Title of publication | N-Heterocyclic Carbene-Induced Transmethylation in Tungsten Imido Alkylidene Bistriflates: Unexpected Formation of an N-Heterocyclic Olefin Complex |
| Authors of publication | Imbrich, Dominik; Frey, Wolfgang; Buchmeiser, Michael R. |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 10.596 ± 0.003 Å |
| b | 10.814 ± 0.002 Å |
| c | 23.235 ± 0.006 Å |
| α | 90° |
| β | 90.907 ± 0.007° |
| γ | 90° |
| Cell volume | 2662.1 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1828 |
| Residual factor for significantly intense reflections | 0.0983 |
| Weighted residual factors for significantly intense reflections | 0.1981 |
| Weighted residual factors for all reflections included in the refinement | 0.2239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202139 (current) | 2017-10-19 | cif/ Adding structures of 7120801, 7120802, 7120803, 7120804 via cif-deposit CGI script. |
7120803.cif |
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Users of the data should acknowledge the original authors of the
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