Information card for entry 1543880

Structure parameters

• Common name: 4FI-2
• Chemical name: BP4VA FI-2
• Formula: C40 H20 F6 I6 N2
• Calculated formula: C40 H20 F6 I6 N2
• SMILES: Ic1c(F)c(I)c(F)c(I)c1F.Ic1c(F)c(I)c(F)c(I)c1F.n1ccc(/C=C/c2c3ccccc3c(c3c2cccc3)/C=C/c2ccncc2)cc1
• Title of publication: Construction and function of a highly efficient supramolecular luminescent system.
• Authors of publication: Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing
• Journal of publication: Faraday discussions
• Year of publication: 2017
• Journal volume: 196
• Pages of publication: 219 - 229
• a: 5.142 ± 0.001 Å
• b: 12.724 ± 0.003 Å
• c: 16.436 ± 0.003 Å
• α: 109.15 ± 0.03°
• β: 96 ± 0.03°
• γ: 93.79 ± 0.03°
• Cell volume: 1004.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No