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Information card for entry 1572217
Preview
Coordinates | 1572217.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H12 F20 N6 O2 S2 |
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Calculated formula | C46 H12 F20 N6 O2 S2 |
Title of publication | More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization. |
Authors of publication | Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 34 |
Pages of publication | 13841 - 13852 |
a | 11.9737 ± 0.0002 Å |
b | 16.1898 ± 0.0003 Å |
c | 22.2877 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4320.51 ± 0.12 Å3 |
Cell temperature | 179.99 ± 0.1 K |
Ambient diffraction temperature | 179.99 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0622 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1439 |
Weighted residual factors for all reflections included in the refinement | 0.152 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/1572217.html
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Users of the data should acknowledge the original authors of the
structural data.