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Information card for entry 1555170
Preview
| Coordinates | 1555170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H26 O7 |
|---|---|
| Calculated formula | C22 H26 O7 |
| SMILES | O1C(=O)[C@@H]2[C@H](C(C[C@@H]2C=C1C)(C(=O)OCC)C(=O)OCC)c1ccc(OC)cc1 |
| Title of publication | Enantioselective Synthesis of Substituted δ-Lactones by Cooperative Oxidative N-Heterocyclic Carbene and Lewis Acid Catalysis. |
| Authors of publication | Bera, Srikrishna; Daniliuc, Constantin G.; Studer, Armido |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 20 |
| Pages of publication | 4940 - 4943 |
| a | 9.136 ± 0.0003 Å |
| b | 10.6809 ± 0.0003 Å |
| c | 42.2825 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4126 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0231 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.0589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238365 (current) | 2019-11-24 | cif/ Adding structures of 1555170, 1555171 via cif-deposit CGI script. |
1555170.cif |
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Users of the data should acknowledge the original authors of the
structural data.