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Information card for entry 1558423
Preview
| Coordinates | 1558423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H6 F9 Sb |
|---|---|
| Calculated formula | C18 H6 F9 Sb |
| Title of publication | Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations |
| Authors of publication | Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 10.2444 ± 0.0002 Å |
| b | 17.0576 ± 0.0003 Å |
| c | 9.5358 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1666.33 ± 0.05 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0212 |
| Residual factor for significantly intense reflections | 0.0191 |
| Weighted residual factors for significantly intense reflections | 0.0486 |
| Weighted residual factors for all reflections included in the refinement | 0.0495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253462 (current) | 2020-06-26 | cif/ Adding structures of 1558415, 1558416, 1558417, 1558418, 1558419, 1558420, 1558421, 1558422, 1558423, 1558424, 1558425 via cif-deposit CGI script. |
1558423.cif |
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Users of the data should acknowledge the original authors of the
structural data.