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Information card for entry 4028045
Preview
Coordinates | 4028045.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H24 N6 S2 |
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Calculated formula | C20 H24 N6 S2 |
SMILES | c1(nc(CCCC)c(n2cncc2)s1)c1nc(CCCC)c(n2cncc2)s1 |
Title of publication | Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups |
Authors of publication | Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 2472 - 2481 |
a | 13.393 ± 0.002 Å |
b | 8.369 ± 0.0014 Å |
c | 10.1189 ± 0.0016 Å |
α | 90° |
β | 107.022 ± 0.002° |
γ | 90° |
Cell volume | 1084.5 ± 0.3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 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 | 0.0486 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.1104 |
Weighted residual factors for all reflections included in the refinement | 0.1174 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4028045.html
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