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Information card for entry 7119302
Preview
Coordinates | 7119302.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H22 O2 S |
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Calculated formula | C32 H22 O2 S |
SMILES | C1(=C(c2c(cccc2)S1(=O)=O)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1 |
Title of publication | A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide. |
Authors of publication | Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
Journal volume | 53 |
Journal issue | 9 |
Pages of publication | 1463 - 1466 |
a | 11.3812 ± 0.0009 Å |
b | 9.024 ± 0.0007 Å |
c | 23.553 ± 0.002 Å |
α | 90° |
β | 100.181 ± 0.003° |
γ | 90° |
Cell volume | 2380.9 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0964 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.0896 |
Weighted residual factors for all reflections included in the refinement | 0.1039 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7119302.html
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