Information card for entry 7112629

Structure parameters

• Formula: C40 H13 O
• Calculated formula: C40 H52 O
• SMILES: c12c(c3c(o1)cc1c(c3)ccc(c1)CCCCCCCCCC)cc1c(cc(CCCCCCCCCC)cc1)c2
• Title of publication: Furan fused V-shaped organic semiconducting materials with high emission and high mobility
• Authors of publication: Katsumasa Nakahara; Chikahiko Mitsui; Toshihiro Okamoto; Masakazu Yamagishi; Hiroyuki Matsui; Takanari Ueno; Yuji Tanaka; Masafumi Yano; Takeshi Matsushita; Junshi Soeda; Yuri Hirose; Hiroyasu Sato; Akihito Yamanof; Jun Takeya
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5342
• a: 5.9067 ± 0.0003 Å
• b: 72.191 ± 0.004 Å
• c: 7.3415 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3130.5 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.3751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No