Information card for entry 2008192

Structure parameters

• Chemical name: 1,3,5-tri-tertbutyldimethylsilyloxymethyl-2,4,6-triiodbenzene
• Formula: C27 H51 I3 O3 Si3
• Calculated formula: C27 H51 I3 O3 Si3
• SMILES: Ic1c(c(I)c(c(I)c1CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
• Title of publication: 2,4,6-Triiodo-1,3,5-tris(<i>tert</i>-butyldimethylsilyloxymethyl)benzene
• Authors of publication: Løiten, Marianne Sveaas; Gløgård, Christian; Dalhus, Bjørn; Fjartoft, Berit; Klaveness, Jo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: IUC9900009
• a: 12.8316 ± 0.0002 Å
• b: 13.5924 ± 0.0002 Å
• c: 23.8128 ± 0.0004 Å
• α: 79.5365 ± 0.0009°
• β: 88.225 ± 0.0008°
• γ: 63.4592 ± 0.0008°
• Cell volume: 3647.83 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.151
• Weighted residual factors for significantly intense reflections: 0.136
• Goodness-of-fit parameter for all reflections: 1.997
• Goodness-of-fit parameter for significantly intense reflections: 2.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No