Information card for entry 7227038

Structure parameters

• Formula: C26 H30 Br2 N4 O2
• Calculated formula: C26 H30 Br2 N4 O2
• SMILES: C1(=O)C(=C2\C(=O)N(c3c2ccc(n3)Br)CCCCCC)\c2c(N1CCCCCC)nc(cc2)Br
• 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: 4.6432 ± 0.00008 Å
• b: 34.6471 ± 0.0006 Å
• c: 7.77338 ± 0.00014 Å
• α: 90°
• β: 93.4634 ± 0.0009°
• γ: 90°
• Cell volume: 1248.25 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No