Information card for entry 4117732

Structure parameters

• Formula: C42 H48 O2
• Calculated formula: C42 H48 O2
• SMILES: c12c(cc(c3ccc(cc3)CCCCCCCC)o1)c1c(cc2)c2c(oc(c2)c2ccc(cc2)CCCCCCCC)cc1
• Title of publication: Naphtho[2,1-b:6,5-b']difuran: A Versatile Motif Available for Solution-Processed Single-Crystal Organic Field-Effect Transistors with High Hole Mobility
• Authors of publication: Chikahiko Mitsui; Junshi Soeda; Kazumoto Miwa; Hayato Tsuji; Jun Takeya; Eiichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 5448 - 5451
• a: 13.2305 ± 0.0017 Å
• b: 5.5995 ± 0.0006 Å
• c: 23.802 ± 0.003 Å
• α: 90°
• β: 97.887 ± 0.007°
• γ: 90°
• Cell volume: 1746.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.2014
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.522
• Diffraction radiation wavelength: 0.99622 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No