Information card for entry 4035216

Structure parameters

• Formula: C24 H22 S6 Si2
• Calculated formula: C24 H22 S6 Si2
• SMILES: c1(cc2c(c3c(c4c(ccc5c4c4c(c6c(cc(s6)[Si](C)(C)C)s4)s5)s3)s2)s1)[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: 6.08389 ± 0.00014 Å
• b: 14.5798 ± 0.0003 Å
• c: 29.7083 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2635.18 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No