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Information card for entry 4088485
Preview
| Coordinates | 4088485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Phenyl BP cluster |
|---|---|
| Formula | C45 H40 B P |
| Calculated formula | C45 H40 B P |
| Title of publication | Reactivity of a Phosphaalkyne with Pentaarylboroles |
| Authors of publication | Barnard, Jonathan H.; Yruegas, Sam; Couchman, Shannon A.; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 7 |
| Pages of publication | 929 |
| a | 10.5235 ± 0.0003 Å |
| b | 16.9647 ± 0.0005 Å |
| c | 21.169 ± 0.0007 Å |
| α | 66.6893 ± 0.0012° |
| β | 82.5213 ± 0.0012° |
| γ | 89.1313 ± 0.0012° |
| Cell volume | 3438.5 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0678 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237611 (current) | 2019-11-24 | cif/ Adding structures of 4088484, 4088485, 4088486 via cif-deposit CGI script. |
4088485.cif |
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Users of the data should acknowledge the original authors of the
structural data.