Information card for entry 7210056

Structure parameters

• Formula: C58 H32 F8 I4 N4
• Calculated formula: C58 H32 F8 I4 N4
• SMILES: Ic1c(F)c(F)c(I)c(F)c1F.Ic1c(F)c(F)c(I)c(F)c1F.C(=C(c1ccc(cc1)c1cnccc1)c1ccc(cc1)c1cnccc1)(c1ccc(cc1)c1cnccc1)c1ccc(cc1)c1cnccc1
• Title of publication: Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes
• Authors of publication: Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 4386
• a: 14.1443 ± 0.0015 Å
• b: 14.3491 ± 0.0015 Å
• c: 15.0776 ± 0.0016 Å
• α: 109.334 ± 0.005°
• β: 105.904 ± 0.005°
• γ: 99.933 ± 0.005°
• Cell volume: 2657.6 ± 0.5 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1804
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No