Information card for entry 4107630

Structure parameters

• Common name: DBSB
• Chemical name: 1,4-bis(1,1-dimethyl-2-phenylbenzosilol-3-yl)benzene
• Formula: C38 H34 Si2
• Calculated formula: C38 H34 Si2
• SMILES: C1(=C(c2ccc(C3=C(c4ccccc4)[Si](c4c3cccc4)(C)C)cc2)c2ccccc2[Si]1(C)C)c1ccccc1
• Title of publication: Modular Synthesis of Functionalized Benzosiloles by Tin-Mediated Cyclization of (o-Alkynylphenyl)silane
• Authors of publication: Laurean Ilies; Hayato Tsuji; Yoshiharu Sato; Eiichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 4240 - 4241
• a: 21.61 ± 0.011 Å
• b: 8.084 ± 0.004 Å
• c: 17.322 ± 0.009 Å
• α: 90°
• β: 93.796 ± 0.008°
• γ: 90°
• Cell volume: 3019 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No