Information card for entry 1551183

Structure parameters

• Formula: C38 H34 O4 Si2
• Calculated formula: C38 H34 O4 Si2
• SMILES: [Si]1(C2=C(c3ccc(OC)cc3)[C@]34OO[C@]2(c2c3c([Si](c3c4cccc3)(C)C)cc3c2cc(OC)cc3)c2c1cccc2)(C)C.[Si]1(C2=C(c3ccc(OC)cc3)[C@@]34OO[C@@]2(c2c3c([Si](c3c4cccc3)(C)C)cc3c2cc(OC)cc3)c2c1cccc2)(C)C
• Title of publication: Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity
• Authors of publication: Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 16.808 ± 0.0003 Å
• b: 12.2273 ± 0.0002 Å
• c: 15.6775 ± 0.0003 Å
• α: 90°
• β: 100.516 ± 0.0007°
• γ: 90°
• Cell volume: 3167.87 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No