Information card for entry 7112628

Structure parameters

• Formula: C40 H40 O
• Calculated formula: C40 H52 O
• SMILES: c1c2ccc(cc2cc2c1oc1c2cc2cc(CCCCCCCCCC)ccc2c1)CCCCCCCCCC
• 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: 6.0634 ± 0.0007 Å
• b: 72.208 ± 0.008 Å
• c: 7.6952 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3369.2 ± 0.7 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: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.3247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 1.0106 Å
• Diffraction radiation type: SrKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No