Information card for entry 4507441

Structure parameters

• Common name: 3,10-DPhDNTT
• Chemical name: 3,10-DPhDNTT
• Formula: C34 H20 S2
• Calculated formula: C34 H20 S2
• SMILES: c12c(c3c(c4c(s3)cc3c(c4)cc(cc3)c3ccccc3)s1)cc1cc(ccc1c2)c1ccccc1
• Title of publication: Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: Organic Semiconductors for Thermally Stable Thin-Film Transistors.
• Authors of publication: Kang, Myeong Jin; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Nakao, Akiko
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2013
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 2331 - 2336
• a: 6.9888 ± 0.0003 Å
• b: 46.665 ± 0.009 Å
• c: 7.18 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2341.6 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.338
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No