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Information card for entry 4104577
Preview
| Coordinates | 4104577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cyclic (Alkyl)(Amino)CarbeneAuCl |
|---|---|
| Formula | C25 H37 Au Cl N |
| Calculated formula | C25 H37 Au Cl N |
| SMILES | [Au](Cl)=C1N(C(C[C@]21[C@H](C=C(CC2)C)C)(C)C)c1c(cccc1C(C)C)C(C)C.[Au](Cl)=C1N(C(C[C@@]21[C@@H](C=C(CC2)C)C)(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Synthesis of a Simplified Version of Stable Bulky and Rigid Cyclic (Alkyl)(amino)carbenes, and Catalytic Activity of the Ensuing Gold(I) Complex in the Three-Component Preparation of 1,2-Dihydroquinoline Derivatives |
| Authors of publication | Xiaoming Zeng; Guido D. Frey; Rei Kinjo; Bruno Donnadieu; Guy Bertrand |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 8690 - 8696 |
| a | 11.3839 ± 0.0006 Å |
| b | 10.1664 ± 0.0005 Å |
| c | 21.0984 ± 0.0011 Å |
| α | 90° |
| β | 101.554 ± 0.002° |
| γ | 90° |
| Cell volume | 2392.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0518 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178791 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/45. |
4104577.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104577.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104577.cif |
| 29603 | 2011-11-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4104577 via cif-deposit CGI script. |
4104577.cif |
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Users of the data should acknowledge the original authors of the
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