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Information card for entry 4087170
Preview
| Coordinates | 4087170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57.33 H73.33 B1.33 K1.33 N4 O8 |
|---|---|
| Calculated formula | C57.3333 H73.3333 B1.33333 K1.33333 N4 O8 |
| Title of publication | Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes |
| Authors of publication | Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M. |
| Journal of publication | Organometallics |
| Year of publication | 2017 |
| a | 19.31 ± 0.02 Å |
| b | 17.619 ± 0.014 Å |
| c | 24.71 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8407 ± 13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0612 |
| Weighted residual factors for significantly intense reflections | 0.1614 |
| Weighted residual factors for all reflections included in the refinement | 0.1776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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