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Information card for entry 8000265
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Coordinates | 8000265.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H26 N2 O6 |
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Calculated formula | C40 H26 N2 O6 |
Title of publication | Magic-Angle Stacking and Strong Intermolecular π-π Interaction in a Perylene Bisimide Crystal: An Approach for Efficient Near-Infrared (NIR) Emission and High Electron Mobility. |
Authors of publication | Zhou, Jiadong; Zhang, Wenqiang; Jiang, Xiao-Fang; Wang, Cong; Zhou, Xuehong; Xu, Biao; Liu, Linlin; Xie, Zengqi; Ma, Yuguang |
Journal of publication | The journal of physical chemistry letters |
Year of publication | 2018 |
Pages of publication | 596 - 600 |
a | 4.5671 ± 0.0002 Å |
b | 17.5924 ± 0.0009 Å |
c | 18.2091 ± 0.0009 Å |
α | 96.309 ± 0.004° |
β | 92.989 ± 0.004° |
γ | 90.443 ± 0.004° |
Cell volume | 1452.06 ± 0.12 Å3 |
Cell temperature | 300.5 ± 0.5 K |
Ambient diffraction temperature | 300.5 ± 0.5 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0903 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1276 |
Weighted residual factors for all reflections included in the refinement | 0.1524 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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205441 (current) | 2018-01-21 | cif/ Adding structures of 8000265 via cif-deposit CGI script. |
8000265.cif |
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Users of the data should acknowledge the original authors of the
structural data.