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Information card for entry 1553103
Preview
Coordinates | 1553103.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H22 N O3 S |
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Calculated formula | C16 H17 N O3 S |
SMILES | S(=O)(=O)(N1C[C@]23O[C@@H](C=C3)C(=C)[C@@H]2C1)c1ccc(cc1)C.S(=O)(=O)(N1C[C@@]23O[C@H](C=C3)C(=C)[C@H]2C1)c1ccc(cc1)C |
Title of publication | One pot cascade synthesis of fused heterocycles from furan-tethered terminal alkynes and aldehydes in the presence of amines and CuBr |
Authors of publication | Zhang, Yan-Yan; Hao, Jian; Shi, Min |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 4 |
Pages of publication | 394 |
a | 6.2097 ± 0.0013 Å |
b | 11.272 ± 0.002 Å |
c | 11.547 ± 0.003 Å |
α | 104.782 ± 0.004° |
β | 101.238 ± 0.004° |
γ | 100.235 ± 0.004° |
Cell volume | 744.1 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0709 |
Residual factor for significantly intense reflections | 0.0656 |
Weighted residual factors for significantly intense reflections | 0.1786 |
Weighted residual factors for all reflections included in the refinement | 0.1866 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/1553103.html
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Users of the data should acknowledge the original authors of the
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