Information card for entry 4027056

Structure parameters

• Formula: C16 H26 S2 Si3
• Calculated formula: C16 H26 S2 Si3
• SMILES: [Si]1(c2sccc2c2c1c([Si](C)(C)C)sc2[Si](C)(C)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: 10.16 ± 0.004 Å
• b: 10.464 ± 0.004 Å
• c: 10.644 ± 0.004 Å
• α: 90°
• β: 113.854 ± 0.005°
• γ: 90°
• Cell volume: 1034.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No