Information card for entry 4035214

Structure parameters

• Formula: C16 H22 Se2 Si2
• Calculated formula: C16 H22 Se2 Si2
• SMILES: [se]1c2c(cc1[Si](C)(C)C)c1cc([se]c1cc2)[Si](C)(C)C
• Title of publication: Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.
• Authors of publication: Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 19
• Pages of publication: 12154 - 12163
• a: 22.138 ± 0.004 Å
• b: 6.7644 ± 0.0008 Å
• c: 27.623 ± 0.003 Å
• α: 90°
• β: 99.718 ± 0.002°
• γ: 90°
• Cell volume: 4077.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No