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Information card for entry 1569309
Preview
Coordinates | 1569309.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | TPAPF6 |
---|---|
Formula | C38.5 H37 F6 N6.5 O P |
Calculated formula | C41 H36.5 F6 N4 O P |
Title of publication | Near-infrared AIEgens with high singlet-oxygen yields for mitochondria-specific imaging and antitumor photodynamic therapy |
Authors of publication | Zhang, Shasha; Yang, Wenfang; Lu, Xiao; Zhang, Xinyi; Pan, Zhichao; Qu, Da-Hui; Mei, Dong; Mei, Ju; Tian, He |
Journal of publication | Chemical Science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 25 |
Pages of publication | 7076 - 7085 |
a | 13.844 ± 0.003 Å |
b | 14.078 ± 0.003 Å |
c | 20.216 ± 0.005 Å |
α | 83.878 ± 0.014° |
β | 87.451 ± 0.014° |
γ | 75.021 ± 0.014° |
Cell volume | 3783.8 ± 1.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1288 |
Residual factor for significantly intense reflections | 0.0999 |
Weighted residual factors for significantly intense reflections | 0.2792 |
Weighted residual factors for all reflections included in the refinement | 0.3054 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1569309.html
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Users of the data should acknowledge the original authors of the
structural data.