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Information card for entry 1572666
Preview
| Coordinates | 1572666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H69 Cu F2 N2 O3 |
|---|---|
| Calculated formula | C90 H69 Cu F2 N2 O3 |
| Title of publication | Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage. |
| Authors of publication | Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 42 |
| Pages of publication | 17481 - 17489 |
| a | 17.6667 ± 0.0015 Å |
| b | 23.566 ± 0.002 Å |
| c | 34.121 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14206 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0644 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296386 (current) | 2024-12-06 | cif/ Updating files of 1572662, 1572663, 1572664, 1572665, 1572666, 1572667, 1572668, 1572669, 1572670, 1572671, 1572672 Original log message: Adding full bibliography for 1572662--1572672.cif. |
1572666.cif |
| 294856 | 2024-09-24 | cif/ Adding structures of 1572662, 1572663, 1572664, 1572665, 1572666, 1572667, 1572668, 1572669, 1572670, 1572671, 1572672 via cif-deposit CGI script. |
1572666.cif |
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Users of the data should acknowledge the original authors of the
structural data.