Information card for entry 7134400

Structure parameters

• Formula: C11 H11 F I N O
• Calculated formula: C11 H11 F 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: 13.1305 ± 0.0004 Å
• b: 11.7122 ± 0.0002 Å
• c: 16.4642 ± 0.0004 Å
• α: 90°
• β: 112.747 ± 0.003°
• γ: 90°
• Cell volume: 2335.05 ± 0.11 ų
• Cell temperature: 297.06 ± 0.1 K
• Ambient diffraction temperature: 297.06 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1131
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2914
• Weighted residual factors for all reflections included in the refinement: 0.2995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2405
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No