Information card for entry 4027060

Structure parameters

• Formula: C13 H16 Br2 S2 Si2
• Calculated formula: C13 H16 Br2 S2 Si2
• SMILES: Brc1sc([Si](C)(C)C)c2[Si](c3sc(Br)cc3c12)(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: 9.575 ± 0.003 Å
• b: 19.537 ± 0.005 Å
• c: 10.714 ± 0.003 Å
• α: 90°
• β: 109.511 ± 0.003°
• γ: 90°
• Cell volume: 1889.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No