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Information card for entry 1517549
Preview
Coordinates | 1517549.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H28 N4 |
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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 Å3 |
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 |
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