Information card for entry 4032952

Structure parameters

• Formula: C24 H22 S2 Se4 Si2
• Calculated formula: C24 H22 S2 Se4 Si2
• SMILES: [se]1c2c(c3c4cc([se]c4sc13)[Si](C)(C)C)c1c3c4cc([se]c4sc3[se]c1cc2)[Si](C)(C)C
• 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: 39.587 ± 0.005 Å
• b: 39.587 ± 0.005 Å
• c: 9.49 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12880 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No