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Information card for entry 7153041
Preview
Coordinates | 7153041.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H17 Cl O4 |
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Calculated formula | C20 H17 Cl O4 |
SMILES | Clc1ccc([C@H]2CC(=O)O[C@]32Oc2c(C3=O)c(cc(c2C)C)C)cc1.Clc1ccc([C@@H]2CC(=O)O[C@@]32Oc2c(C3=O)c(cc(c2C)C)C)cc1 |
Title of publication | N-heterocyclic carbene catalyzed annulation of benzofuran-2,3-diones and enals: a concise synthesis of spiro-bis-lactone. |
Authors of publication | Wang, Ze-Dong; Wang, Feng; Li, Xin; Cheng, Jin-Pei |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2013 |
Journal volume | 11 |
Journal issue | 34 |
Pages of publication | 5634 - 5641 |
a | 11.874 ± 0.006 Å |
b | 14.457 ± 0.007 Å |
c | 10.519 ± 0.005 Å |
α | 90° |
β | 108.21 ± 0.008° |
γ | 90° |
Cell volume | 1715.3 ± 1.5 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 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 | 0.0425 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0772 |
Weighted residual factors for all reflections included in the refinement | 0.0792 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/7153041.html
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