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Information card for entry 4028560
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Coordinates | 4028560.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H5 Br N2 S |
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Calculated formula | C8 H5 Br N2 S |
SMILES | Brc1cnc(c2ccncc2)s1 |
Title of publication | Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores |
Authors of publication | Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 8669 - 8679 |
a | 5.8778 ± 0.0018 Å |
b | 7.415 ± 0.002 Å |
c | 9.975 ± 0.003 Å |
α | 84.049 ± 0.005° |
β | 87.505 ± 0.005° |
γ | 77.632 ± 0.004° |
Cell volume | 422.3 ± 0.2 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0574 |
Residual factor for significantly intense reflections | 0.0526 |
Weighted residual factors for significantly intense reflections | 0.1373 |
Weighted residual factors for all reflections included in the refinement | 0.1404 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/4028560.html
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