Information card for entry 7030410

Structure parameters

• Formula: C78 H84 O6 Si3
• Calculated formula: C78 H84 O6 Si3
• SMILES: [Si]1(c2c3c4c([Si](c5c4c4c([Si](c6c4c3c1c(c6OCCCC)OCCCC)(c1ccccc1)c1ccccc1)c(c5OCCCC)OCCCC)(c1ccccc1)c1ccccc1)c(c2OCCCC)OCCCC)(c1ccccc1)c1ccccc1
• Title of publication: Application of the sila-Friedel-Crafts reaction to the synthesis of π-extended silole derivatives and their properties.
• Authors of publication: Furukawa, Shunsuke; Kobayashi, Junji; Kawashima, Takayuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 39
• Pages of publication: 9329 - 9336
• a: 27.695 ± 0.008 Å
• b: 15.054 ± 0.005 Å
• c: 32.739 ± 0.011 Å
• α: 90 ± 0.0014°
• β: 102.696 ± 0.0016°
• γ: 90 ± 0.0014°
• Cell volume: 13316 ± 7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1983
• Residual factor for significantly intense reflections: 0.1509
• Weighted residual factors for significantly intense reflections: 0.3891
• Weighted residual factors for all reflections included in the refinement: 0.4583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.593
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No