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Information card for entry 4032922
Preview
Coordinates | 4032922.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H38 O2 S2 |
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Calculated formula | C30 H38 O2 S2 |
SMILES | c12oc3c(sc(CCCCCCCC)c3)c1cc1c(c2)c2c(cc(CCCCCCCC)s2)o1 |
Title of publication | Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings. |
Authors of publication | Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 20 |
Pages of publication | 10920 - 10927 |
a | 6.657 ± 0.003 Å |
b | 8.177 ± 0.004 Å |
c | 12.851 ± 0.005 Å |
α | 94.123 ± 0.007° |
β | 92.155 ± 0.004° |
γ | 108.359 ± 0.008° |
Cell volume | 660.9 ± 0.5 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0496 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.1 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
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/4032922.html
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