Information card for entry 2023419

Structure parameters

• Formula: C20 H6 F8 N6 O6
• Calculated formula: C20 H6 F8 N6 O6
• Title of publication: Polymorphism and Hirshfeld surface analysis of tetra-oxa[2]perfluoro-arene[2]triazine.
• Authors of publication: Kawasaki, Tadashi; Hori, Akiko
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 4
• Pages of publication: 289 - 295
• a: 7.1729 ± 0.001 Å
• b: 9.7282 ± 0.0012 Å
• c: 16.307 ± 0.002 Å
• α: 104.42 ± 0.004°
• β: 91.293 ± 0.005°
• γ: 99.274 ± 0.004°
• Cell volume: 1085.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0684
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No