Information card for entry 4027059

Structure parameters

• Formula: C16 H25 Br S2 Si3
• Calculated formula: C16 H25 Br S2 Si3
• SMILES: [Si](C)(C)(C)c1c2[Si](C)(C)c3c(c2c(Br)s1)cc([Si](C)(C)C)s3
• 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: 13.753 ± 0.007 Å
• b: 14.627 ± 0.007 Å
• c: 14.647 ± 0.012 Å
• α: 98.458 ± 0.011°
• β: 110.078 ± 0.011°
• γ: 117.942 ± 0.007°
• Cell volume: 2270 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No