Information card for entry 7160823

Structure parameters

• Formula: C25 H25 F N2 O2
• Calculated formula: C25 H25 F N2 O2
• Title of publication: Redox-neutral rhodium(III)-catalyzed [4 + 1] annulation of <i>N</i>-aryl phthalazinediones with alkynes.
• Authors of publication: Jia, Xiuwen; Li, Pinyi; Zhao, Fei; Liu, Siyu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 45
• Pages of publication: 10315 - 10320
• a: 11.086 ± 0.002 Å
• b: 8.3538 ± 0.0009 Å
• c: 22.882 ± 0.004 Å
• α: 90°
• β: 94.994 ± 0.014°
• γ: 90°
• Cell volume: 2111.1 ± 0.6 ų
• Cell temperature: 100.1 ± 0.5 K
• Ambient diffraction temperature: 100.1 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No