Information card for entry 7249696

Structure parameters

• Formula: C23 H19 F2 N O
• Calculated formula: C23 H19 F2 N O
• Title of publication: Electrophilic aromatic substitution using fluorinated isoxazolines at the C5 position via C–F bond cleavage
• Authors of publication: Sato, Kazuyuki; Kuroki, Tomohiro; Minami, Haruka; Sato, Azusa; Karuo, Yukiko; Tarui, Atsushi; Kawai, Kentaro; Omote, Masaaki
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 53
• Pages of publication: 39543 - 39549
• a: 13.4568 ± 0.0002 Å
• b: 16.4098 ± 0.0002 Å
• c: 8.2521 ± 0.0001 Å
• α: 90°
• β: 94.707 ± 0.001°
• γ: 90°
• Cell volume: 1816.11 ± 0.04 ų
• Cell temperature: 119.9 ± 0.5 K
• Ambient diffraction temperature: 119.9 ± 0.5 K
• Number of distinct elements: 5
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No