Information card for entry 7134399

Structure parameters

• Formula: C10.9 H8.8 F3 I0.94 N O
• Calculated formula: C10.9 H8.8 F3 I0.944 N O
• Title of publication: Photoinduced Ni-catalyzed carbohalogenation of monofluoro, gem-difluoro, and trifluoromethyl tethered alkenes
• Authors of publication: Sharma, Ruchi; Sihag, Naveen; Gupta, Poorvi; Manna, Kuntal; Yadav, M. Ramu
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 40
• Pages of publication: 7273 - 7276
• a: 8.28658 ± 0.00018 Å
• b: 12.189 ± 0.0002 Å
• c: 12.0734 ± 0.0003 Å
• α: 90°
• β: 94.993 ± 0.002°
• γ: 90°
• Cell volume: 1214.85 ± 0.04 ų
• Cell temperature: 299.99 ± 0.18 K
• Ambient diffraction temperature: 299.99 ± 0.18 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2539
• Weighted residual factors for all reflections included in the refinement: 0.2567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No