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Information card for entry 4064950
Preview
| Coordinates | 4064950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H47 N4 O Ta |
|---|---|
| Calculated formula | C29 H47 N4 O Ta |
| SMILES | [Ta]1(OC([C@@H](N1C1CCCCC1)C(C)C)(c1ccccc1)c1ccccc1)(N(C)C)(N(C)C)N(C)C |
| Title of publication | Asymmetric Catalytic Intramolecular Hydroamination of Aminoallenes by Tantalum Amidoalkoxide Complexes |
| Authors of publication | Hansen, Michelle C.; Heusser, Carolyn A.; Narayan, Tarun C.; Fong, Kristine E.; Hara, Nagiko; Kohn, Alexander W.; Venning, Alexander R.; Rheingold, Arnold L.; Johnson, Adam R. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 17 |
| Pages of publication | 4616 |
| a | 9.2269 ± 0.0005 Å |
| b | 16.2635 ± 0.0008 Å |
| c | 19.5119 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2928 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0165 |
| Residual factor for significantly intense reflections | 0.0156 |
| Weighted residual factors for significantly intense reflections | 0.0356 |
| Weighted residual factors for all reflections included in the refinement | 0.0358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178543 (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 4/06/49. |
4064950.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064950.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064950.cif |
| 33112 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064950 via cif-deposit CGI script. |
4064950.cif |
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Users of the data should acknowledge the original authors of the
structural data.