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Information card for entry 4087665
Preview
| Coordinates | 4087665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66.26 H71.47 F6 O7 Ti |
|---|---|
| Calculated formula | C66.264 H71.472 F6 O7 Ti |
| Title of publication | Facile C‒H, C‒F, C‒Cl, and C‒C Activation by Oxatitanacyclobutene Complexes |
| Authors of publication | Nguyen, Trang T.; Bertke, Jeffery A.; Gray, Danielle L.; Hull, Kami L. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 17 |
| Pages of publication | 4190 |
| a | 11.695 ± 0.002 Å |
| b | 14.142 ± 0.002 Å |
| c | 17.854 ± 0.003 Å |
| α | 90.607 ± 0.008° |
| β | 98.046 ± 0.009° |
| γ | 97.865 ± 0.009° |
| Cell volume | 2895 ± 0.8 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1209 |
| Weighted residual factors for all reflections included in the refinement | 0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236907 (current) | 2019-11-24 | cif/ Adding structures of 4087664, 4087665, 4087666 via cif-deposit CGI script. |
4087665.cif |
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Users of the data should acknowledge the original authors of the
structural data.