Information card for entry 7156178

Structure parameters

• Formula: C25 H27 F3 N4 O6
• Calculated formula: C25 H27 F3 N4 O6
• Title of publication: Rhodium(iii)-catalyzed CF₃-carbenoid C-H functionalization of 6-arylpurines.
• Authors of publication: Vorobyeva, Daria V.; Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Loginov, Dmitry A.; Peregudov, Alexander S.; Osipov, Sergey N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 2966 - 2974
• a: 9.0578 ± 0.0005 Å
• b: 9.3785 ± 0.0005 Å
• c: 15.7048 ± 0.0009 Å
• α: 103.167 ± 0.001°
• β: 101.337 ± 0.001°
• γ: 91.84 ± 0.001°
• Cell volume: 1269.54 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0575
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No