Information card for entry 7160543

Structure parameters

• Formula: C51 H55 B Cl9 F4 N O4 P Rh S
• Calculated formula: C51 H55 B Cl9 F4 N O4 P Rh S
• Title of publication: Rhodium-catalyzed enantioselective hydrogenation of (1-arylvinyl)phosphonates with TADDOL-based phosphoramidite P,S ligands.
• Authors of publication: Zimarev, Vladislav S.; Firsin, Ilya D.; Larin, Alexander V.; Tafeenko, Victor A.; Bondarenko, Grigoriy N.; Chuchelkin, Ilya V.; Gavrilov, Vladislav K.; Gavrilov, Konstantin N.; Goulioukina, Nataliya S.; Beletskaya, Irina P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 5600 - 5610
• a: 16.8778 ± 0.0008 Å
• b: 16.9391 ± 0.0008 Å
• c: 20.303 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5804.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 10
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2525
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No