Information card for entry 2229425

Structure parameters

• Chemical name: 4,4'-Bis[(<i>E</i>)-(2,3-diiodoprop-2-en-1-yl)oxy]biphenyl
• Formula: C18 H14 I4 O2
• Calculated formula: C18 H14 I4 O2
• SMILES: I/C(=C/I)COc1ccc(cc1)c1ccc(OCC(=C\I)/I)cc1
• Title of publication: 4,4'-Bis[(<i>E</i>)-(2,3-diiodoprop-2-en-1-yl)oxy]biphenyl
• Authors of publication: Shah, Kiramat; Raza Shah, M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o568
• a: 10.047 ± 0.0004 Å
• b: 10.2267 ± 0.0004 Å
• c: 11.3581 ± 0.0004 Å
• α: 105.76 ± 0.004°
• β: 101.433 ± 0.003°
• γ: 108.211 ± 0.004°
• Cell volume: 1014.45 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes