Information card for entry 7127954

Structure parameters

• Formula: C42 H42 N2
• Calculated formula: C42 H42 N2
• SMILES: N(c1ccc(C(C)(C)C)cc1)(c1c2c(cccc2)c(N(c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1)c1ccccc1
• Title of publication: Simple generation of various α-monofluoroalkyl radicals by organic photoredox catalysis: modular synthesis of β-monofluoroketones.
• Authors of publication: Taniguchi, Ryo; Noto, Naoki; Tanaka, Seiya; Takahashi, Keigo; Sarkar, Sujan K.; Oyama, Ryoko; Abe, Manabu; Koike, Takashi; Akita, Munetaka
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 21
• Pages of publication: 2609 - 2612
• a: 17.06 ± 0.002 Å
• b: 10.1206 ± 0.0008 Å
• c: 19.139 ± 0.002 Å
• α: 90°
• β: 98.606 ± 0.011°
• γ: 90°
• Cell volume: 3267.3 ± 0.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• 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: 0.1681
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2462
• Weighted residual factors for all reflections included in the refinement: 0.2998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No