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Information card for entry 4033845
Preview
Coordinates | 4033845.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H20 O6 |
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Calculated formula | C24 H20 O6 |
SMILES | [C@H]12c3ccccc3C(=C(CCC3=C(c4ccccc4[C@@H]1O3)OC(=O)C)O2)OC(=O)C.[C@@H]12c3ccccc3C(=C(CCC3=C(c4ccccc4[C@H]1O3)OC(=O)C)O2)OC(=O)C |
Title of publication | Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis. |
Authors of publication | Zhao, Yun-Long; Cheng, Ying |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 17 |
Pages of publication | 11114 - 11124 |
a | 20.7497 ± 0.0005 Å |
b | 9.0408 ± 0.0002 Å |
c | 10.2972 ± 0.0003 Å |
α | 90° |
β | 99.14 ± 0.003° |
γ | 90° |
Cell volume | 1907.17 ± 0.09 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
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 | 0.0476 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.0939 |
Weighted residual factors for all reflections included in the refinement | 0.1007 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4033845.html
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