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Information card for entry 4082425
Preview
| Coordinates | 4082425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Moris-265 (Tatiana) |
|---|---|
| Formula | C21 H16 F5 N3 |
| Calculated formula | C21 H16 F5 N3 |
| SMILES | C(=N\c1c(c(c(c(c1F)F)F)F)F)(\c1ccc(cc1)C)NCCc1ccccn1 |
| Title of publication | Titanium Bis(amidinates) Bearing Electron Donating Pendant Arms as Catalysts for Stereospecific Polymerization of Propylene |
| Authors of publication | Elkin, Tatyana; Botoshansky, Mark; Waymouth, Robert M.; Eisen, Moris S. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 4 |
| Pages of publication | 840 |
| a | 22.345 ± 0.003 Å |
| b | 10.639 ± 0.001 Å |
| c | 15.962 ± 0.002 Å |
| α | 90° |
| β | 98.367 ± 0.003° |
| γ | 90° |
| Cell volume | 3754.2 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0559 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Weighted residual factors for all reflections included in the refinement | 0.1564 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4082425.cif |
| 178713 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24. |
4082425.cif |
| 104403 | 2014-03-11 | cif/ Adding structures of 4082425, 4082426, 4082427, 4082428, 4082429 via cif-deposit CGI script. |
4082425.cif |
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Users of the data should acknowledge the original authors of the
structural data.