Information card for entry 7134398

Structure parameters

• Formula: C12 H9 Cl F2 I N O
• Calculated formula: C12 H9 Cl F2 I 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: 8.6441 ± 0.0015 Å
• b: 11.7421 ± 0.0019 Å
• c: 24.791 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2516.3 ± 0.8 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 7
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No