Information card for entry 4129087

Structure parameters

• Formula: C41 H62 Si2
• Calculated formula: C41 H62 Si2
• SMILES: C(C1(CC#C)c2c(c3c1cc(cc3)CC[Si](C(C)C)(C(C)C)C(C)C)ccc(c2)CC[Si](C(C)C)(C(C)C)C(C)C)C#C
• Title of publication: Morphologically Tunable Square and Rectangular Nanosheets of a Simple Conjugated Homopolymer by Changing Solvents
• Authors of publication: Yang, Sanghee; Kang, Sung-Yun; Choi, Tae-Lim
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 10.8939 ± 0.0003 Å
• b: 10.9617 ± 0.0002 Å
• c: 16.6476 ± 0.0004 Å
• α: 85.1872 ± 0.0018°
• β: 75.261 ± 0.002°
• γ: 78.5459 ± 0.0019°
• Cell volume: 1883.11 ± 0.08 ų
• Cell temperature: 101 ± 1 K
• Ambient diffraction temperature: 101 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No