Information card for entry 7063629

Structure parameters

• Formula: C10 H2 F5 N7 O
• Calculated formula: C10 H2 F5 N7 O
• Title of publication: Stable anion radicals based on a triazole-fused furazano[3,4-b]pyrazine scaffold
• Authors of publication: Efanov, Daniil E.; Tolstikov, Svyatoslav E.; Romanenko, Galina V.; Letyagin, Gleb A.; Smirnova, Kristina A.; Chernavin, Platon A.; Veber, Sergey L.; Romashev, Nikolay F.; Osik, Natalya A.; Bogomyakov, Artem S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3869 - 3876
• a: 6.2914 ± 0.0017 Å
• b: 28.492 ± 0.007 Å
• c: 7.258 ± 0.002 Å
• α: 90°
• β: 114.975 ± 0.016°
• γ: 90°
• Cell volume: 1179.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.738
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No