Information card for entry 7128522

Structure parameters

• Formula: C10 H10 Cl F O2
• Calculated formula: C10 H10 Cl F O2
• Title of publication: Rh-catalyzed tunable defluorinative borylation.
• Authors of publication: Hao, Fei; Shang, Xueyun; Liu, Zhenwei; Zhang, He; Lin, Jin-Hong; Xiao, Ji-Chang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 58
• Pages of publication: 7124 - 7127
• a: 11.0279 ± 0.0012 Å
• b: 7.6848 ± 0.0009 Å
• c: 24.244 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2054.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2336
• Weighted residual factors for all reflections included in the refinement: 0.2415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No