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Information card for entry 4518944
Preview
| Coordinates | 4518944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H21 F6 N O4 S2 Sn |
|---|---|
| Calculated formula | C11 H21 F6 N O4 S2 Sn |
| Title of publication | Transition Metal-Free Direct Hydrogenation of Esters via a Frustrated Lewis Pair |
| Authors of publication | Sapsford, Joshua S.; Csókás, Dániel; Turnell-Ritson, Roland C.; Parkin, Liam A.; Crawford, Andrew D.; Pápai, Imre; Ashley, Andrew E. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 9143 - 9150 |
| a | 16.7483 ± 0.0004 Å |
| b | 16.7483 ± 0.0004 Å |
| c | 28.9201 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8112.2 ± 0.3 Å3 |
| Cell temperature | 172.95 ± 0.1 K |
| Ambient diffraction temperature | 172.95 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 142 |
| Hermann-Mauguin space group symbol | I 41/a c d :2 |
| Hall space group symbol | -I 4bd 2c |
| Residual factor for all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267918 (current) | 2021-08-03 | cif/ Adding structures of 4518944 via cif-deposit CGI script. |
4518944.cif |
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Users of the data should acknowledge the original authors of the
structural data.