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Information card for entry 4089596
Preview
Coordinates | 4089596.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H35 B |
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Calculated formula | C48 H35 B |
SMILES | [B]123([C]4(C(=C([C]1(=[C]2([C]3=4c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Ring Expansion of 7-Boranorbornadienes by Coordination with an N-Heterocyclic Carbene |
Authors of publication | Braunschweig, Holger; Maier, Jonathan; Radacki, Krzysztof; Wahler, Johannes |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 21 |
Pages of publication | 6353 |
a | 13.31 ± 0.0006 Å |
b | 17.3944 ± 0.0007 Å |
c | 15.3265 ± 0.0007 Å |
α | 90° |
β | 109.409 ± 0.002° |
γ | 90° |
Cell volume | 3346.7 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0551 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0887 |
Weighted residual factors for all reflections included in the refinement | 0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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