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Information card for entry 7156030
Preview
| Coordinates | 7156030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H24 F2 O2 |
|---|---|
| Calculated formula | C30 H24 F2 O2 |
| Title of publication | Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps. |
| Authors of publication | Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2018 |
| Journal volume | 16 |
| Journal issue | 5 |
| Pages of publication | 750 - 755 |
| a | 8.2454 ± 0.0002 Å |
| b | 10.3667 ± 0.0003 Å |
| c | 14.2973 ± 0.0004 Å |
| α | 90.201 ± 0.001° |
| β | 104.558 ± 0.001° |
| γ | 90.585 ± 0.001° |
| Cell volume | 1182.78 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7156030.cif |
| 230672 | 2019-11-17 | cif/ Updating files of 7156027, 7156028, 7156029, 7156030, 7156031 Original log message: Adding full bibliography for 7156027--7156031.cif. |
7156030.cif |
| 204210 | 2017-12-13 | cif/ Adding structures of 7156027, 7156028, 7156029, 7156030, 7156031 via cif-deposit CGI script. |
7156030.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.