Information card for entry 1551182

Structure parameters

• Formula: C38 H34 O2 Si2
• Calculated formula: C38 H34 O2 Si2
• SMILES: [Si]1(c2c(c3c4c5c([Si](c6c(cccc6)c5c(c5ccc(OC)cc5)c13)(C)C)cc1ccc(OC)cc41)cccc2)(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: 11.2379 ± 0.0005 Å
• b: 13.1495 ± 0.0007 Å
• c: 20.9319 ± 0.0011 Å
• α: 93.009 ± 0.007°
• β: 93.589 ± 0.007°
• γ: 92.791 ± 0.007°
• Cell volume: 3078.6 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.2386
• Weighted residual factors for all reflections included in the refinement: 0.2496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.628
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No