Information card for entry 4027057

Structure parameters

• Formula: C19 H34 S2 Si4
• Calculated formula: C19 H34 S2 Si4
• SMILES: [Si]1(C)(C)c2c(c3c1sc([Si](C)(C)C)c3)c([Si](C)(C)C)sc2[Si](C)(C)C
• Title of publication: Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination
• Authors of publication: Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 2929 - 2934
• a: 21.037 ± 0.005 Å
• b: 11.731 ± 0.003 Å
• c: 10.746 ± 0.003 Å
• α: 90°
• β: 92.84 ± 0.004°
• γ: 90°
• Cell volume: 2648.7 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0452
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No