Information card for entry 2213623

Structure parameters

• Chemical name: 1,3,5-Tris(5-iodothiophen-2-yl)benzene
• Formula: C18 H9 I3 S3
• Calculated formula: C18 H9 I3 S3
• SMILES: Ic1sc(c2cc(cc(c2)c2sc(I)cc2)c2sc(I)cc2)cc1
• Title of publication: 1,3,5-Tris(5-iodothiophen-2-yl)benzene
• Authors of publication: Zhu, Chen-Hao; Li, Wei-Jie; Kong, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2761 - o2761
• a: 12.969 ± 0.007 Å
• b: 12.969 ± 0.007 Å
• c: 20.7 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3015 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes