Information card for entry 4038539

Structure parameters

• Formula: C17 H24 F3 N2 O5 P
• Calculated formula: C17 H24 F3 N2 O4.992 P
• Title of publication: Access to alpha-aminophosphonic acid derivatives and phosphonopeptides by [Rh(P-OP)]-catalyzed stereoselective hydrogenation.
• Authors of publication: Fernández-Pérez, Héctor; Lenartowicz, Paweł; Carreras Vinent, Lucas; Grabulosa, Arnald; Kafarski, Paweł; Vidal-Ferran, Anton
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.8281 ± 0.0003 Å
• b: 11.8983 ± 0.0003 Å
• c: 19.0954 ± 0.0005 Å
• α: 72.31 ± 0.002°
• β: 72.182 ± 0.002°
• γ: 61.141 ± 0.002°
• Cell volume: 2201.08 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No