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Information card for entry 1549967
Preview
Coordinates | 1549967.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H19 N5 |
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Calculated formula | C22 H19 N5 |
SMILES | n1c(n2c3c(cccc3)cc2)c2ncn(c2nc1c1ccccc1)CCC |
Title of publication | Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging. |
Authors of publication | Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 48 |
Pages of publication | 8969 - 8974 |
a | 6.8768 ± 0.0003 Å |
b | 15.854 ± 0.0008 Å |
c | 16.6138 ± 0.0006 Å |
α | 90° |
β | 91.265 ± 0.004° |
γ | 90° |
Cell volume | 1810.87 ± 0.14 Å3 |
Cell temperature | 295.5 ± 0.5 K |
Ambient diffraction temperature | 295.5 ± 0.5 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0697 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1606 |
Weighted residual factors for all reflections included in the refinement | 0.1738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1549967.html
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