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Information card for entry 1556109
Preview
Coordinates | 1556109.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C67.5 H54.5 Br2 Cl2 N2 O6 P2 Ru |
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Calculated formula | C67.46 H48 Br2 Cl2 N2 O6 P2 Ru |
SMILES | c1ccccc1[C@H]1[C@H](c2ccccc2)[NH2][Ru]([NH2]1)([P]1(c2c(Br)cccc2)Oc2c(c3c(cc2)cccc3)c2c(ccc3c2cccc3)O1)(Cl)([P]1(Oc2ccc3ccccc3c2c2c3ccccc3ccc2O1)c1ccccc1Br)Cl.O.CO |
Title of publication | Asymmetric hydrogenation of ketones using a ruthenium(II) catalyst containing BINOL-derived monodonor phosphorus-donor ligands. |
Authors of publication | Xu, Yingjian; Alcock, Nat W.; Clarkson, Guy J.; Docherty, Gordon; Woodward, Gary; Wills, Martin |
Journal of publication | Organic letters |
Year of publication | 2004 |
Journal volume | 6 |
Journal issue | 22 |
Pages of publication | 4105 - 4107 |
a | 16.649 ± 0.002 Å |
b | 19.163 ± 0.002 Å |
c | 27.224 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 89.58° |
Cell volume | 8685.4 ± 1.7 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 (c,2*a+c,b) |
Hall space group symbol | P 2yb (-1/2*x+z,1/2*x,y) |
Residual factor for all reflections | 0.212 |
Residual factor for significantly intense reflections | 0.0962 |
Weighted residual factors for significantly intense reflections | 0.2069 |
Weighted residual factors for all reflections included in the refinement | 0.2447 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.85 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1556109.html
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