Information card for entry 7218285

Structure parameters

• Formula: C19 H11 F4 N3 O4
• Calculated formula: C19 H11 F4 N3 O4
• SMILES: Fc1c(F)c(N=N#N)c(F)c(F)c1C(=O)OCCCOC(=O)c1ccc(cc1)C#C
• Title of publication: Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state
• Authors of publication: Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 9983
• a: 5.8306 ± 0.0012 Å
• b: 9.969 ± 0.002 Å
• c: 15.544 ± 0.003 Å
• α: 71.39 ± 0.03°
• β: 87.46 ± 0.03°
• γ: 86.71 ± 0.03°
• Cell volume: 854.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0475
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No