Information card for entry 1503070

Structure parameters

• Formula: C53 H52 Cl2 N2 O2 P2 Ru
• Calculated formula: C53 H52 Cl2 N2 O2 P2 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3c(c4c(cc3)cccc4)c3c([P]1(c1ccccc1)c1ccccc1)ccc1ccccc31)[NH2][C@H](C)[C@H]1OC(O[C@@H]1[C@H]([NH2]2)C)(C)C
• Title of publication: Asymmetric hydrogenation of bicyclic ketones catalyzed by BINAP/IPHAN-Ru(II) complex.
• Authors of publication: Arai, Noriyoshi; Akashi, Masaya; Sugizaki, Satoshi; Ooka, Hirohito; Inoue, Tsutomu; Ohkuma, Takeshi
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 3380 - 3383
• a: 10.8594 ± 0.0005 Å
• b: 21.0813 ± 0.0008 Å
• c: 23.1923 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5309.4 ± 0.4 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No