Information card for entry 4519254

Structure parameters

• Formula: C18 H12 F6 N4 O6
• Calculated formula: C18 H12 F6 N4 O6
• Title of publication: Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations
• Authors of publication: Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam
• Journal of publication: ACS Omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 51
• Pages of publication: 35649 - 35656
• a: 8.5863 ± 0.0003 Å
• b: 11.2015 ± 0.0004 Å
• c: 20.1697 ± 0.0007 Å
• α: 90°
• β: 99.146 ± 0.002°
• γ: 90°
• Cell volume: 1915.25 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0885
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No