Information card for entry 4110188

Structure parameters

• Chemical name: (E)-1,2-Bis{(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacene-4-yl)}- 1,2-diphenyldisilene
• Formula: C68 H100 Si2
• Calculated formula: C68 H100 Si2
• SMILES: c1(ccccc1)/[Si](=[Si](c1ccccc1)\c1c2c(cc3c1C(CC3(CC)CC)(CC)CC)C(CC2(CC)CC)(CC)CC)c1c2c(cc3c1C(CC3(CC)CC)(CC)CC)C(CC2(CC)CC)(CC)CC
• Title of publication: Coplanar Oligo(p-phenylenedisilenylene)s Based on the Octaethyl-Substituteds-Hydrindacenyl Groups
• Authors of publication: Aiko Fukazawa; Yongming Li; Shigehiro Yamaguchi; Hayato Tsuji; Kohei Tamao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14164 - 14165
• a: 12.639 ± 0.005 Å
• b: 14.481 ± 0.005 Å
• c: 16.752 ± 0.007 Å
• α: 90°
• β: 105.982 ± 0.006°
• γ: 90°
• Cell volume: 2948 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No