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Information card for entry 4026348
Preview
Coordinates | 4026348.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H20 N2 S4 |
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Calculated formula | C28 H20 N2 S4 |
SMILES | c1nccc(c1)c1cc(c(s1)c1sc(cc1)c1sc(c2c(cc(c3ccncc3)s2)C)cc1)C |
Title of publication | Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions |
Authors of publication | Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 4444 - 4456 |
a | 11.211 ± 0.005 Å |
b | 7.868 ± 0.003 Å |
c | 16.06 ± 0.007 Å |
α | 90° |
β | 120.036 ± 0.005° |
γ | 90° |
Cell volume | 1226.4 ± 0.9 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 | 0.0601 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0638 |
Weighted residual factors for all reflections included in the refinement | 0.0697 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.857 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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