Information card for entry 1544775

Structure parameters

• Formula: C44 H36 N4 Si
• Calculated formula: C44 H36 N4 Si
• SMILES: [Si](c1ccc(c2nn(c3ccccc3)c(c3ccccc3)c2)cc1)(c1ccc(cc1)c1nn(c(c1)c1ccccc1)c1ccccc1)(C)C
• Title of publication: Multicomponent Tandem Polymerizations of Aromatic Diynes, Terephthaloyl Chloride, and Hydrazines toward Functional Conjugated Polypyrazoles
• Authors of publication: Tang, Xiaojuan; Zheng, Chao; Chen, Yizhao; Zhao, Zujin; Qin, Anjun; Hu, Rongrong; Tang, Ben Zhong
• Journal of publication: Macromolecules
• Year of publication: 2016
• a: 24.4344 ± 0.0014 Å
• b: 6.2075 ± 0.0005 Å
• c: 30.306 ± 0.002 Å
• α: 90°
• β: 127.163 ± 0.004°
• γ: 90°
• Cell volume: 3663.2 ± 0.5 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No