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Information card for entry 4023485
Preview
| Coordinates | 4023485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H38 Au Cl N2 |
|---|---|
| Calculated formula | C35 H38 Au Cl N2 |
| SMILES | C1(N([C@@H](c2ccccc2)[C@H](c2ccccc2)N1Cc1c(cc(cc1C)C)C)Cc1c(C)cc(C)cc1C)=[Au]Cl |
| Title of publication | C~2~ Symmetric Chiral NHC Ligand for Asymmetric Quaternary Carbon Constructing Copper-Catalyzed Conjugate Addition of Grignard Reagents to 3-Substituted Cyclohexenones |
| Authors of publication | Yasumasa Matsumoto; Ken-ichi Yamada; Kiyoshi Tomioka |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2008 |
| Journal volume | 73 |
| Pages of publication | 4578 - 4581 |
| a | 13.1526 ± 0.0009 Å |
| b | 13.1526 ± 0.0009 Å |
| c | 18.2549 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3157.9 ± 0.4 Å3 |
| Cell temperature | 98.1 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for significantly intense reflections | 0.0188 |
| Weighted residual factors for all reflections included in the refinement | 0.0421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277840 (current) | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4023485.cif |
| 178413 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/34. |
4023485.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4023485.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4023485.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4023485.cif |
| 762 | 2009-06-20 | cif/4/: Adding CIFs from the J-Org-Chem-2008 deposition. |
4023485.cif |
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