Information card for entry 1575719

Structure parameters

• Formula: C36 H46 F6 N4 O6
• Calculated formula: C36 H46 F6 N4 O6
• Title of publication: Photoelectrocatalytic XAT strategy for the generation of alkyl radicals to synthesize alkylated 3-CF₃-2-oxindoles.
• Authors of publication: Wan, Qinhui; Wu, Xia-Die; Xu, Fei-Fei; Hou, Zhong-Wei; Wang, Lei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 83
• Pages of publication: 16270 - 16273
• a: 10.0034 ± 0.0002 Å
• b: 12.4144 ± 0.0003 Å
• c: 15.9012 ± 0.0003 Å
• α: 92.556 ± 0.001°
• β: 92.311 ± 0.001°
• γ: 90.2 ± 0.001°
• Cell volume: 1971.11 ± 0.07 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No