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Information card for entry 1554306
Preview
Coordinates | 1554306.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H11 Cl2 F10 N5 O2.5 |
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Calculated formula | C36 H11 Cl2 F10 N5 O2.5 |
Title of publication | The design of rigid cyclic tripyrrins: the importance of intermolecular interactions on aggregation and luminescence |
Authors of publication | Wang, Jun-Fei; Yao, Yuhang; Ning, Yingying; Meng, Yin-Shan; Hou, Chun-Liang; Zhang, Jing; Zhang, Jun-Long |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 12 |
Pages of publication | 1877 |
a | 6.3689 ± 0.0005 Å |
b | 19.2075 ± 0.001 Å |
c | 14.4005 ± 0.0009 Å |
α | 90° |
β | 96.153 ± 0.007° |
γ | 90° |
Cell volume | 1751.5 ± 0.2 Å3 |
Cell temperature | 180.01 ± 0.1 K |
Ambient diffraction temperature | 180.01 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0931 |
Residual factor for significantly intense reflections | 0.0683 |
Weighted residual factors for significantly intense reflections | 0.2181 |
Weighted residual factors for all reflections included in the refinement | 0.2414 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1554306.html
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Users of the data should acknowledge the original authors of the
structural data.