Information card for entry 4003697
Formula |
C40 H28 N4 O4 |
Calculated formula |
C40 H28 N4 O4 |
Title of publication |
Cooperative Aggregations of Nitrogen-Containing Perylene Diimides Driven by Rigid and Flexible Functional Groups |
Authors of publication |
Kumagai, Shohei; Ishii, Hiroyuki; Watanabe, Go; Annaka, Tatsuro; Fukuzaki, Eiji; Tani, Yukio; Sugiura, Hiroki; Watanabe, Tetsuya; Kurosawa, Tadanori; Takeya, Jun; Okamoto, Toshihiro |
Journal of publication |
Chemistry of Materials |
Year of publication |
2020 |
a |
4.7896 ± 0.0002 Å |
b |
50.055 ± 0.003 Å |
c |
6.505 ± 0.0004 Å |
α |
90° |
β |
105.331 ± 0.007° |
γ |
90° |
Cell volume |
1504.03 ± 0.15 Å3 |
Cell temperature |
299 ± 2 K |
Ambient diffraction temperature |
299 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0983 |
Residual factor for significantly intense reflections |
0.0699 |
Weighted residual factors for significantly intense reflections |
0.1682 |
Weighted residual factors for all reflections included in the refinement |
0.2017 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.928 |
Diffraction radiation wavelength |
1.54187 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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