Information card for entry 1577389

Structure parameters

• Formula: C59 H59 N3 O2 P2 Ru
• Calculated formula: C59 H59 N3 O2 P2 Ru
• Title of publication: Ruthenium hydride catalyzed α-alkylation of ketones with primary alcohols for access to bioactive molecules using the borrowing hydrogen approach
• Authors of publication: Singh, Ovender; Kim, Youngsuk; Chauhan, Rahul; Lee, Junseong; Tyagi, Nidhi
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2026
• a: 24.3079 ± 0.0009 Å
• b: 11.5688 ± 0.0003 Å
• c: 36.6542 ± 0.0011 Å
• α: 90°
• β: 101.743 ± 0.002°
• γ: 90°
• Cell volume: 10091.9 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0591
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No