Information card for entry 1517549

Structure parameters

• Formula: C26 H28 N4
• Calculated formula: C26 H28 N4
• SMILES: n1nc2c3cccc4c3c(nnc4CCCCC)c3cccc(c1CCCCC)c23
• Title of publication: Efficient approach to electron-deficient 1,2,7,8-tetraazaperylene derivatives.
• Authors of publication: Tang, Ruizhi; Zhang, Fan; Fu, Yubin; Xu, Qing; Wang, Xinyang; Zhuang, Xiaodong; Wu, Dongqing; Giannakopoulos, Angelos; Beljonne, David; Feng, Xinliang
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 4726 - 4729
• a: 4.7073 ± 0.0002 Å
• b: 28.2422 ± 0.001 Å
• c: 8.1072 ± 0.0003 Å
• α: 90°
• β: 105.483 ± 0.001°
• γ: 90°
• Cell volume: 1038.69 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No