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Information card for entry 4067544
Preview
| Coordinates | 4067544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H34 N2 S Zn |
|---|---|
| Calculated formula | C26 H34 N2 S Zn |
| SMILES | C12C(C=CC(=CC=1)Sc1ccccc1)=[N]([Zn](C)N2C1CCCCC1)C1CCCCC1 |
| Title of publication | Functionalized Aminotroponiminate Zinc Complexes as Catalysts for the Intramolecular Hydroamination of Alkenes |
| Authors of publication | Dochnahl, Maximilian; Löhnwitz, Karolin; Lühl, Anja; Pissarek, Jens-Wolfgang; Biyikal, Mustafa; Roesky, Peter W.; Blechert, Siegfried |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 12 |
| Pages of publication | 2637 |
| a | 15.422 ± 0.003 Å |
| b | 9.7429 ± 0.0011 Å |
| c | 17.688 ± 0.003 Å |
| α | 90° |
| β | 113.713 ± 0.013° |
| γ | 90° |
| Cell volume | 2433.3 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0871 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1707 |
| Weighted residual factors for all reflections included in the refinement | 0.1839 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178566 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/75. |
4067544.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067544.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067544.cif |
| 34225 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067541, 4067542, 4067543, 4067544 via cif-deposit CGI script. |
4067544.cif |
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Users of the data should acknowledge the original authors of the
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