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Information card for entry 1557550
Preview
| Coordinates | 1557550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H87 I Mg N2 O |
|---|---|
| Calculated formula | C57 H87 I Mg N2 O |
| SMILES | I[Mg]1([O](CC)CC)N(c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)C(=CC(=[N]1c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C)C |
| Title of publication | Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation |
| Authors of publication | Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 13 |
| Pages of publication | 3516 - 3522 |
| a | 10.437 ± 0.0002 Å |
| b | 14.8235 ± 0.0004 Å |
| c | 18.7188 ± 0.0005 Å |
| α | 84.547 ± 0.002° |
| β | 75.886 ± 0.002° |
| γ | 71.426 ± 0.002° |
| Cell volume | 2661.85 ± 0.12 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257347 (current) | 2020-10-06 | cif/ Updating files of 1557543, 1557544, 1557545, 1557546, 1557547, 1557548, 1557549, 1557550, 1557551, 1557552 Original log message: Adding full bibliography for 1557543--1557552.cif. |
1557550.cif |
| 250236 | 2020-04-05 | cif/ Updating files of 1557543, 1557544, 1557545, 1557546, 1557547, 1557548, 1557549, 1557550, 1557551, 1557552 Original log message: Adding full bibliography for 1557543--1557552.cif. |
1557550.cif |
| 249162 | 2020-03-07 | cif/ Adding structures of 1557543, 1557544, 1557545, 1557546, 1557547, 1557548, 1557549, 1557550, 1557551, 1557552 via cif-deposit CGI script. |
1557550.cif |
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Users of the data should acknowledge the original authors of the
structural data.