Information card for entry 4127809

Structure parameters

• Chemical name: 5,9,14,18-tetrahexyl-bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene
• Formula: C58 H66
• Calculated formula: C58 H66
• Title of publication: Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.
• Authors of publication: Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 8
• Pages of publication: 3589 - 3596
• a: 7.457 ± 0.0004 Å
• b: 17.701 ± 0.0011 Å
• c: 18.1186 ± 0.001 Å
• α: 73.7794 ± 0.0017°
• β: 78.4187 ± 0.0018°
• γ: 79.3591 ± 0.0019°
• Cell volume: 2228.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0978
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No