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Information card for entry 4127232
Preview
| Coordinates | 4127232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C125 H165 B4 K4 N8 S4 |
|---|---|
| Calculated formula | C125 H165 B4 K4 N8 S4 |
| Title of publication | An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond. |
| Authors of publication | Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 20 |
| Pages of publication | 8073 - 8077 |
| a | 15.5333 ± 0.0003 Å |
| b | 16.3399 ± 0.0003 Å |
| c | 27.911 ± 0.0007 Å |
| α | 85.492 ± 0.002° |
| β | 89.509 ± 0.002° |
| γ | 61.864 ± 0.002° |
| Cell volume | 6224.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.09 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.1853 |
| Weighted residual factors for all reflections included in the refinement | 0.2101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223191 (current) | 2019-11-04 | cif/ Updating files of 4127230, 4127231, 4127232, 4127233, 4127234 Original log message: Adding full bibliography for 4127230--4127234.cif. |
4127232.cif |
| 215081 | 2019-05-13 | cif/ Adding structures of 4127230, 4127231, 4127232, 4127233, 4127234 via cif-deposit CGI script. |
4127232.cif |
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Users of the data should acknowledge the original authors of the
structural data.