Information card for entry 7134526

Structure parameters

• Formula: C26 H29 F2 N O2
• Calculated formula: C26 H29 F2 N O2
• Title of publication: Transition metal/photocatalyst-free skeletal editing of indene with iodonium difluorodiazo reagent to access 2-(difluoromethyl)naphthalene
• Authors of publication: Yuan, Zong-Rui; Sun, Meng-Qi; Chen, Wei-Chen; Zhang, Zhi-Qi; Ma, Jun-An; Zhang, Fa-Guang
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 48
• Pages of publication: 8667 - 8670
• a: 8.0436 ± 0.0001 Å
• b: 64.4922 ± 0.001 Å
• c: 8.4579 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4387.53 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0764
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No