Information card for entry 1572124

Structure parameters

• Formula: C15 H12 F3 N O2
• Calculated formula: C15 H12 F3 N O2
• Title of publication: Preparation of intrinsically fragile bent crystals.
• Authors of publication: Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 12258 - 12263
• a: 6.6355 ± 0.0005 Å
• b: 7.3234 ± 0.0005 Å
• c: 15.7183 ± 0.001 Å
• α: 82.822 ± 0.005°
• β: 80.835 ± 0.006°
• γ: 65.136 ± 0.007°
• Cell volume: 682.74 ± 0.09 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No