Information card for entry 4133501

Structure parameters

• Formula: C43 H46
• Calculated formula: C43 H46
• SMILES: C1(CC#C)(CC#C)c2cc(ccc2c2c1cc(cc2)CCc1ccc(cc1)C(C)(C)C)CCc1ccc(cc1)C(C)(C)C
• Title of publication: Preparing Semiconducting Nanoribbons with Tunable Length and Width via Crystallization-Driven Self-Assembly of a Simple Conjugated Homopolymer.
• Authors of publication: Choi, Inho; Yang, Sanghee; Choi, Tae-Lim
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 49
• Pages of publication: 17218 - 17225
• a: 8.824 ± 0.0003 Å
• b: 13.4501 ± 0.0005 Å
• c: 15.5579 ± 0.0006 Å
• α: 67.708 ± 0.004°
• β: 74.052 ± 0.003°
• γ: 86.15 ± 0.003°
• Cell volume: 1641.28 ± 0.12 ų
• Cell temperature: 99.8 ± 0.8 K
• Ambient diffraction temperature: 99.8 ± 0.8 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No