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Information card for entry 1515872
Preview
Coordinates | 1515872.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H36 B F24 Ir |
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Calculated formula | C48 H36 B F24 Ir |
SMILES | [Ir]123456([CH]7=[CH]1CC[CH]2=[CH]3CC7)[CH]1=[CH]4CC[CH]5=[CH]6CC1.c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates |
Authors of publication | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas |
Journal of publication | Chemical Science |
Year of publication | 2010 |
Journal volume | 1 |
Journal issue | 1 |
Pages of publication | 72 |
a | 13.2952 ± 0.0005 Å |
b | 18.3006 ± 0.0006 Å |
c | 19.3162 ± 0.0006 Å |
α | 90° |
β | 98.362 ± 0.002° |
γ | 90° |
Cell volume | 4649.9 ± 0.3 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
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 | 0.0884 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for all reflections | 0.0718 |
Weighted residual factors for significantly intense reflections | 0.0447 |
Weighted residual factors for all reflections included in the refinement | 0.0447 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.3459 |
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/1515872.html
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Users of the data should acknowledge the original authors of the
structural data.