Information card for entry 7063631

Structure parameters

• Formula: C8.67 H12 F1.67 N2.67 O0.33
• Calculated formula: C8.66667 H12 F1.66667 N2.66667 O0.333333
• 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: 10.4306 ± 0.0006 Å
• b: 20.1188 ± 0.0012 Å
• c: 14.4748 ± 0.0009 Å
• α: 90°
• β: 99.556 ± 0.004°
• γ: 90°
• Cell volume: 2995.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2075
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.3094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No