Information card for entry 7236770

Structure parameters

• Formula: C61.5 H45 Cl N4 Si
• Calculated formula: C61.5 H45 Cl N4 Si
• Title of publication: 3,4-Donor- and 2,5-acceptor-functionalized dipolar siloles: synthesis, structure, photoluminescence and electroluminescence
• Authors of publication: Lin, Gengwei; Chen, Long; Peng, Huiren; Chen, Shuming; Zhuang, Zeyan; Li, Yinghao; Wang, Bohan; Zhao, Zujin; Tang, Ben Zhong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 20
• Pages of publication: 4867
• a: 17.0741 ± 0.0012 Å
• b: 18.7485 ± 0.0014 Å
• c: 16.4301 ± 0.0012 Å
• α: 90°
• β: 113.064 ± 0.002°
• γ: 90°
• Cell volume: 4839.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.148
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No