Information card for entry 2237974

Structure parameters

• Chemical name: 6,12-Bis[(tricyclohexylsilyl)ethynyl]indeno[1,2-<i>b</i>]fluorene
• Formula: C60 H76 Si2
• Calculated formula: C60 H76 Si2
• SMILES: c1c2c(c3c(c2C#C[Si](C2CCCCC2)(C2CCCCC2)C2CCCCC2)cccc3)cc2c1c1c(c2C#C[Si](C2CCCCC2)(C2CCCCC2)C2CCCCC2)cccc1
• Title of publication: 6,12-Bis[(tricyclohexylsilyl)ethynyl]indeno[1,2-<i>b</i>]fluorene
• Authors of publication: Rose, Bradley D.; Zakharov, Lev N.; Haley, Michael M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o890
• a: 20.219 ± 0.007 Å
• b: 7.246 ± 0.002 Å
• c: 33.885 ± 0.011 Å
• α: 90°
• β: 103.017 ± 0.007°
• γ: 90°
• Cell volume: 4837 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1672
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes