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Information card for entry 1556415
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Display in Jmol| Coordinates | 1556415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (OCP)B[{N(2,6-iPr-C6H3)}2(CH)2] |
|---|---|
| Formula | C27 H36 B N2 O P |
| Calculated formula | C27 H36 B N2 O P |
| Title of publication | Base induced isomerisation of a phosphaethynolato-borane: Mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene |
| Authors of publication | Wilson, Daniel; Franco, Mauricio P.; Myers, William; McGrady, John E.; Goicoechea, Jose M. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 9.3904 ± 0.0001 Å |
| b | 14.2038 ± 0.0001 Å |
| c | 20.3914 ± 0.0002 Å |
| α | 90° |
| β | 99.177 ± 0.001° |
| γ | 90° |
| Cell volume | 2684.98 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0459 |
| Residual factor for observed reflections | 0.04 |
| Weighted residual factors for the observed reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for observed reflections | 1.017 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244871 (current) | 2019-12-03 | cif/ Adding structures of 1556409, 1556410, 1556411, 1556412, 1556413, 1556414, 1556415 via cif-deposit CGI script. |
1556415.cif |
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