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Information card for entry 1564266
Preview
| Coordinates | 1564266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H56 Cl Cu N2 O2 |
|---|---|
| Calculated formula | C69 H56 Cl Cu N2 O2 |
| Title of publication | Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization |
| Authors of publication | Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 14.4801 ± 0.0007 Å |
| b | 18.5079 ± 0.0009 Å |
| c | 20.3673 ± 0.0011 Å |
| α | 90° |
| β | 91.94 ± 0.002° |
| γ | 90° |
| Cell volume | 5455.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267840 (current) | 2021-07-31 | cif/ Adding structures of 1564266, 1564267, 1564268, 1564269, 1564270, 1564271, 1564272, 1564273, 1564274, 1564275 via cif-deposit CGI script. |
1564266.cif |
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