Information card for entry 4035217

Structure parameters

• Formula: C24 H22 S2 Se4 Si2
• Calculated formula: C24 H22 S2 Se4 Si2
• SMILES: c1(cc2c(c3c(c4c(ccc5c4c4c(c6c(cc([se]6)[Si](C)(C)C)s4)[se]5)[se]3)s2)[se]1)[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: 43.5409 ± 0.0016 Å
• b: 6.07902 ± 0.00015 Å
• c: 25.6532 ± 0.001 Å
• α: 90°
• β: 126.743 ± 0.006°
• γ: 90°
• Cell volume: 5441 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No