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Information card for entry 1555446
Preview
| Coordinates | 1555446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 O2 |
|---|---|
| Calculated formula | C18 H22 O2 |
| SMILES | O([C@@H](c1c(O)cccc1)c1ccccc1)CC(C)(C)C |
| Title of publication | Organocatalytic Asymmetric Nucleophilic Addition to o-Quinone Methides by Alcohols. |
| Authors of publication | Lai, Zengwei; Wang, Zhaobin; Sun, Jianwei |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 24 |
| Pages of publication | 6058 - 6061 |
| a | 9.0068 ± 0.0002 Å |
| b | 10.478 ± 0.0003 Å |
| c | 16.4734 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1554.65 ± 0.07 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 | 0.0424 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238689 (current) | 2019-11-24 | cif/ Adding structures of 1555446 via cif-deposit CGI script. |
1555446.cif |
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Users of the data should acknowledge the original authors of the
structural data.