Information card for entry 7130977

Structure parameters

• Formula: C19 H18 F5 N2 O3 P
• Calculated formula: C19 H18 F5 N2 O3 P
• Title of publication: Visible-Light-Induced Mn(0)-Catalyzed Direct C3 Mono-, Di- and Perfluoroalkylations of 2H-Indazoles
• Authors of publication: Laru, Sudip; Bhattacharjee, Suvam; Hajra, Alakananda
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.144 ± 0.002 Å
• b: 9.764 ± 0.002 Å
• c: 26.58 ± 0.005 Å
• α: 90°
• β: 98.77 ± 0.03°
• γ: 90°
• Cell volume: 2088.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No