Information card for entry 7251719

Structure parameters

• Chemical name: YM240
• Formula: C16 H9 F3 N2 O2
• Calculated formula: C16 H9 F3 N2 O2
• Title of publication: H-Bond Mediated Photocatalyzed Oxidation of Oximes under visible light and Air. A General Route toward Dioxazoles, Oxadiazoles and Isoxazoles
• Authors of publication: Landais, Yannick; Massad, Younes; Zych, Arkadiusz; Duttine, Mathieu; Robert, Frédéric; Bassani, Dario Maria
• Journal of publication: Green Chemistry
• Year of publication: 2026
• a: 7.7206 ± 0.0005 Å
• b: 9.3225 ± 0.0006 Å
• c: 10.2659 ± 0.0007 Å
• α: 92.407 ± 0.002°
• β: 99.423 ± 0.002°
• γ: 91.424 ± 0.002°
• Cell volume: 727.9 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0502
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No