Information card for entry 7103349

Structure parameters

• Common name: Cyclic Bis(1,8-diethynyl-9-hexyloxy-anthracene)
• Formula: C48 H40 O2
• Calculated formula: C48 H32 O2
• Title of publication: Transistors from a conjugated macrocycle molecule: field and photo effects.
• Authors of publication: Zhao, Wei; Tang, Qin; Chan, Hoi Shan; Xu, Jianbin; Lo, Ka Yuen; Miao, Qian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4324 - 4326
• a: 8.9279 ± 0.0008 Å
• b: 10.0248 ± 0.0009 Å
• c: 11.718 ± 0.001 Å
• α: 75.067 ± 0.002°
• β: 67.838 ± 0.002°
• γ: 69.165 ± 0.002°
• Cell volume: 898.48 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1624
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.3108
• Weighted residual factors for all reflections included in the refinement: 0.3683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No