Information card for entry 7161043

Structure parameters

• Formula: C17 H10 F3 N O4
• Calculated formula: C17 H10 F3 N O4
• Title of publication: A photochemical HAT approach to synthesize <i>N</i>-substituted benzoxazin-4-ones and their activity as AMPA receptor modulators.
• Authors of publication: Rudik, Daniil I.; Smirnov, Alexander Yu; Bogdanova, Yulia A.; Mikhaylov, Andrey A.; Romanenko, Alexander R.; Korlyukov, Alexander A.; Nikolaev, Maxim; Baranov, Mikhail S.; Ivanov, Dmitrii S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 651 - 658
• a: 8.1934 ± 0.0009 Å
• b: 7.7898 ± 0.0008 Å
• c: 23.076 ± 0.002 Å
• α: 90°
• β: 96.82 ± 0.003°
• γ: 90°
• Cell volume: 1462.4 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0465
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No