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Information card for entry 1546906
Preview
Coordinates | 1546906.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H39 B N P |
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Calculated formula | C26 H39 B N P |
SMILES | [P+]1(C[B](N=C1C(C)(C)C)(c1ccccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C |
Title of publication | Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates |
Authors of publication | Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris |
Journal of publication | Dalton Transactions |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 36 |
Pages of publication | 12284 - 12292 |
a | 11.4364 ± 0.0004 Å |
b | 14.5007 ± 0.0005 Å |
c | 14.8879 ± 0.0006 Å |
α | 90° |
β | 93.698 ± 0.002° |
γ | 90° |
Cell volume | 2463.81 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0501 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1205 |
Weighted residual factors for all reflections included in the refinement | 0.1258 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1546906.html
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Users of the data should acknowledge the original authors of the
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