Information card for entry 2014026

Structure parameters

• Common name: 3,4,5-Triiodotetraphenylmethane
• Chemical name: Triphenyl(3,4,5-triiodophenyl)methane
• Formula: C25 H17 I3
• Calculated formula: C25 H17 I3
• SMILES: Ic1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc(I)c1I
• Title of publication: Triphenyl(3,4,5-triiodophenyl)methane
• Authors of publication: Reddy, C. Malla; Nangia, Ashwini; Jetti, Ram K. R.; Boese, Roland
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o331 - o333
• a: 11.567 ± 0.004 Å
• b: 12.833 ± 0.004 Å
• c: 17.572 ± 0.006 Å
• α: 108.031 ± 0.006°
• β: 95.774 ± 0.006°
• γ: 111.805 ± 0.006°
• Cell volume: 2233.1 ± 1.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes