Information card for entry 1556849

Structure parameters

• Formula: C16 H6 F6 N2 O2
• Calculated formula: C16 H6 F6 N2 O2
• SMILES: C(F)(F)(c1c(c2ccc(cc2C(F)(F)F)OC#N)ccc(c1)OC#N)F
• Title of publication: A high-performance polycyanurate network derived from 4,4′-biscyanato-2,2′-trifluoromethylbiphenyl
• Authors of publication: Liu, Jingfeng; Meng, Qingjie; Li, Liying; Lu, Gewu; Yuan, Hang; Cui, Lei; Liu, Xia; Mu, Hongliang; Ji, Jingjing; Zhou, Defeng; Wang, Zhen; Yan, Jingling
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 784 - 788
• a: 11.7327 ± 0.0012 Å
• b: 9.6358 ± 0.0009 Å
• c: 13.0361 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1473.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No