Information card for entry 7218284

Structure parameters

• Formula: C18 H9 F4 N3 O4
• Calculated formula: C18 H9 F4 N3 O4
• SMILES: Fc1c(F)c(c(F)c(F)c1N=N#N)C(=O)OCCOC(=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: 7.1325 ± 0.0014 Å
• b: 11.657 ± 0.002 Å
• c: 11.979 ± 0.002 Å
• α: 61.83 ± 0.03°
• β: 86.14 ± 0.03°
• γ: 76.85 ± 0.03°
• Cell volume: 854 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.2711
• Weighted residual factors for all reflections included in the refinement: 0.29
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No