Information card for entry 1517203

Structure parameters

• Formula: C53 H46 Cl4 N2 O P2 Ru
• 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 ų
• 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