Information card for entry 7227039

Structure parameters

• Formula: C34 H36 N4 O2 S2
• Calculated formula: C34 H36 N4 O2 S2
• Title of publication: Structure-Property Relationship of Two Structural Isomers of Thiophene-Flanked Diazaisoindigo on Carrier-Transport Properties
• Authors of publication: Ashizawa, Minoru; Hasegawa, Tsukasa; Kawauchi, Susumu; Masunaga, Hiroyasu; Hikima, Takaaki; Sato, Hiroyasu; Matsumoto, Hidetoshi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.02134 ± 0.00009 Å
• b: 9.79352 ± 0.00018 Å
• c: 16.0988 ± 0.0003 Å
• α: 99.8742 ± 0.001°
• β: 98.6417 ± 0.0011°
• γ: 101.485 ± 0.001°
• Cell volume: 750.27 ± 0.02 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No