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Information card for entry 4078313
Preview
| Coordinates | 4078313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | (CH3)HFI |
|---|---|
| Chemical name | [2-tert-butyl-6-((2,6-(3,5-dimethylphenyl)-phenylimino)methyl)phenol |
| Formula | C33 H35 N O |
| Calculated formula | C33 H35 N O |
| SMILES | c1(c(cccc1C(C)(C)C)/C=N/c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)O |
| Title of publication | Suppression of β-Hydride Chain Transfer in Nickel(II)-Catalyzed Ethylene Polymerization via Weak Fluorocarbon Ligand–Product Interactions |
| Authors of publication | Weberski, Michael P.; Chen, Changle; Delferro, Massimiliano; Zuccaccia, Cristiano; Macchioni, Alceo; Marks, Tobin J. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 9 |
| Pages of publication | 3773 |
| a | 17.82 ± 0.03 Å |
| b | 9.53 ± 0.02 Å |
| c | 16.95 ± 0.03 Å |
| α | 90° |
| β | 98.92 ± 0.03° |
| γ | 90° |
| Cell volume | 2844 ± 9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1057 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.2003 |
| Weighted residual factors for all reflections included in the refinement | 0.2412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4078313.cif |
| 201982 | 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. |
4078313.cif |
| 178672 | 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 4/07/83. |
4078313.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078313.cif |
| 59891 | 2012-06-14 | cif/ Adding structures of 4078309, 4078310, 4078311, 4078312, 4078313 via cif-deposit CGI script. |
4078313.cif |
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Users of the data should acknowledge the original authors of the
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