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Information card for entry 1560074
Preview
| Coordinates | 1560074.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (R,E)-3-benzyl-4-benzylidenetetrahydrofuran-3-ol |
|---|---|
| Formula | C18 H18 O2 |
| Calculated formula | C18 H18 O2 |
| SMILES | O[C@@]1(C(=C\c2ccccc2)\COC1)Cc1ccccc1 |
| Title of publication | Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME |
| Authors of publication | Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 2306 - 2315 |
| a | 6.5109 ± 0.0008 Å |
| b | 8.5749 ± 0.0012 Å |
| c | 26.234 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1464.7 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0752 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560074.cif |
| 263613 | 2021-04-05 | cif/ Updating files of 1560073, 1560074 Original log message: Adding full bibliography for 1560073--1560074.cif. |
1560074.cif |
| 260908 | 2021-01-13 | cif/ Adding structures of 1560073, 1560074 via cif-deposit CGI script. |
1560074.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.