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Information card for entry 1552224
Preview
Coordinates | 1552224.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H15 F5 N2 O |
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Calculated formula | C22 H15 F5 N2 O |
SMILES | Fc1c(C2=NN(c3ccc(OC)cc3)C(c3ccccc3)C2)c(F)c(c(c1F)F)F |
Title of publication | Multifunctional pyrazoline based AIEgens: real-time tracking and specific protein “fishing” of lipid droplets |
Authors of publication | Zhao, Na; Li, Yan; Yang, Weiyao; Zhuang, Jiabao; Li, Yue; Li, Nan |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 14.0842 ± 0.0005 Å |
b | 6.3205 ± 0.0002 Å |
c | 42.4385 ± 0.0015 Å |
α | 90° |
β | 92.56 ± 0.003° |
γ | 90° |
Cell volume | 3774.1 ± 0.2 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0669 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1268 |
Weighted residual factors for all reflections included in the refinement | 0.141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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 |
---|---|---|---|
275434 (current) | 2022-05-16 | cif/1 Fixing some Z values and formulae |
1552224.cif |
217532 | 2019-08-15 | cif/ Adding structures of 1552224, 1552225, 1552226 via cif-deposit CGI script. |
1552224.cif |
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Users of the data should acknowledge the original authors of the
structural data.