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Information card for entry 1542968
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1542968.cif |
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Original paper (by DOI) | HTML |
Chemical name | N-(2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenyl)methanesulfonamide |
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Formula | C24 H20 Cl N3 O2 S3 |
Calculated formula | C24 H20 Cl N3 O2 S3 |
SMILES | Clc1c(c2c3cc(sc3nc3sc(nc23)c2c(NS(=O)(=O)C)cccc2)C(C)C)cccc1 |
Title of publication | An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE) |
Authors of publication | Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 7 |
Pages of publication | 4485 |
a | 9.5948 ± 0.0006 Å |
b | 10.3128 ± 0.0007 Å |
c | 12.0188 ± 0.0008 Å |
α | 87.285 ± 0.005° |
β | 86.081 ± 0.005° |
γ | 83.966 ± 0.005° |
Cell volume | 1178.93 ± 0.13 Å3 |
Cell temperature | 293 ± 10 K |
Ambient diffraction temperature | 293 ± 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 | 0.0756 |
Residual factor for significantly intense reflections | 0.0651 |
Weighted residual factors for significantly intense reflections | 0.1708 |
Weighted residual factors for all reflections included in the refinement | 0.182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1542968.html
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Users of the data should acknowledge the original authors of the
structural data.