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Information card for entry 1550643
Preview
Coordinates | 1550643.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H17 N O S |
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Calculated formula | C23 H17 N O S |
SMILES | s1c(C=O)ccc1c1ccc(N(c2ccccc2)c2ccccc2)cc1 |
Title of publication | Facile synthesis of AIEgens with wide color tunability for cellular imaging and therapy |
Authors of publication | Xu, Wenhan; Lee, Michelle M. S.; Zhang, Zhihan; Sung, Herman H-Y.; Williams, Ian Duncan; Kwok, Ryan T. K.; Lam, Jacky Wing Yip; Wang, Dong; Tang, Ben Zhong |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 19.92637 ± 0.00017 Å |
b | 6.63771 ± 0.00005 Å |
c | 13.28322 ± 0.00011 Å |
α | 90° |
β | 96.4721 ± 0.0008° |
γ | 90° |
Cell volume | 1745.71 ± 0.02 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.0363 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0988 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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 |
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213800 (current) | 2019-02-23 | cif/ Adding structures of 1550643, 1550644 via cif-deposit CGI script. |
1550643.cif |
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Users of the data should acknowledge the original authors of the
structural data.