Information card for entry 7160541

Structure parameters

• Formula: C8 H10 Cl O3 P
• Calculated formula: C8 H10 Cl O3 P
• 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: 15.522 ± 0.001 Å
• b: 5.6987 ± 0.0004 Å
• c: 26.8 ± 0.003 Å
• α: 90°
• β: 94.618 ± 0.01°
• γ: 90°
• Cell volume: 2362.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.228
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No