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Information card for entry 1517203
Preview
Coordinates | 1517203.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H46 Cl4 N2 O P2 Ru |
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Calculated formula | C53 H46 Cl4 N2 O P2 Ru |
SMILES | [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)[NH]1[C@H]([C@H]3[NH]2Cc2ccccc32)c2ccccc2C1.ClCCl |
Title of publication | Highly enantioselective hydrogenation of steric hindrance enones catalyzed by ru complexes with chiral diamine and achiral phosphane. |
Authors of publication | Chen, Xiangning; Zhou, Han; Zhang, Kunyu; Li, Jiawen; Huang, Hanmin |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 15 |
Pages of publication | 3912 - 3915 |
a | 11.20234 ± 0.00015 Å |
b | 14.9864 ± 0.0003 Å |
c | 14.7402 ± 0.0003 Å |
α | 90° |
β | 107.993 ± 0.0016° |
γ | 90° |
Cell volume | 2353.6 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.081 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/1517203.html
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