Information card for entry 4032954

Structure parameters

• Formula: C24 H22 Se6 Si2
• Calculated formula: C24 H22 Se6 Si2
• SMILES: [se]1c([Si](C)(C)C)cc2c1[se]c1[se]c3c(c21)c1c([se]c2[se]c4[se]c([Si](C)(C)C)cc4c12)cc3
• Title of publication: Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.
• Authors of publication: Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 20
• Pages of publication: 11192 - 11197
• a: 16.4144 ± 0.0011 Å
• b: 10.1288 ± 0.0007 Å
• c: 18.9016 ± 0.0013 Å
• α: 90°
• β: 114.719 ± 0.001°
• γ: 90°
• Cell volume: 2854.6 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No