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Information card for entry 1545367
Preview
| Coordinates | 1545367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38.5 H57 B Mg N2 O3 |
|---|---|
| Calculated formula | C35 H53 B Mg N2 O3 |
| Title of publication | Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage |
| Authors of publication | Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 5 |
| Pages of publication | 3529 |
| a | 13.48093 ± 0.00017 Å |
| b | 14.64625 ± 0.00015 Å |
| c | 18.8268 ± 0.0002 Å |
| α | 90° |
| β | 94.1686 ± 0.0012° |
| γ | 90° |
| Cell volume | 3707.42 ± 0.07 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Weighted residual factors for all reflections included in the refinement | 0.1306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196332 (current) | 2017-05-06 | cif/ Updating files of 1545365, 1545366, 1545367, 1545368, 1545369, 1545370 Original log message: Adding full bibliography for 1545365--1545370.cif. |
1545367.cif |
| 192695 | 2017-03-02 | cif/ Adding structures of 1545365, 1545366, 1545367, 1545368, 1545369, 1545370 via cif-deposit CGI script. |
1545367.cif |
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Users of the data should acknowledge the original authors of the
structural data.