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Information card for entry 4080484
Preview
| Coordinates | 4080484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C31 H34 N4 |
|---|---|
| Calculated formula | C31 H34 N4 |
| SMILES | c1(cccc(c1/N=C(C)/N(c1c(cccc1C)C)c1cccc(n1)Nc1c(cccc1C)C)C)C |
| Title of publication | Alkylyttrium Complexes of Amidine–Amidopyridinate Ligands. Intramolecular C(sp3)–H Activation and Reactivity Studies |
| Authors of publication | Rad’kov, Vasily; Dorcet, Vincent; Carpentier, Jean-François; Trifonov, Alexander; Kirillov, Evgeny |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 5 |
| Pages of publication | 1517 |
| a | 17.8602 ± 0.0017 Å |
| b | 7.5102 ± 0.0007 Å |
| c | 21.248 ± 0.002 Å |
| α | 90° |
| β | 114.577 ± 0.003° |
| γ | 90° |
| Cell volume | 2591.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.123 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1465 |
| Weighted residual factors for all reflections included in the refinement | 0.1738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| 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. |
4080484.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. |
4080484.cif |
| 178693 | 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 4/08/04. |
4080484.cif |
| 85939 | 2013-05-07 | cif/ Adding structures of 4080484, 4080485, 4080486, 4080487, 4080488 via cif-deposit CGI script. |
4080484.cif |
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Users of the data should acknowledge the original authors of the
structural data.