Information card for entry 7161042

Structure parameters

• Formula: C16 H10 Cl N O4
• Calculated formula: C16 H10 Cl 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: 11.3234 ± 0.0018 Å
• b: 15.735 ± 0.003 Å
• c: 7.5713 ± 0.0013 Å
• α: 90°
• β: 98.695 ± 0.005°
• γ: 90°
• Cell volume: 1333.5 ± 0.4 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: 0.0862
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No