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Information card for entry 1555826
Preview
| Coordinates | 1555826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H14 O3 |
|---|---|
| Calculated formula | C18 H14 O3 |
| SMILES | O=C1C(=Cc2ccccc2[C@@]1(C1=CC(=O)C=CC1=O)C)C |
| Title of publication | Chiral Phosphoric Acid Catalyzed Asymmetric Oxidative Dearomatization of Naphthols with Quinones. |
| Authors of publication | Zhu, Gongming; Bao, Guangjun; Li, Yiping; Yang, Junxian; Sun, Wangsheng; Li, Jing; Hong, Liang; Wang, Rui |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 20 |
| Pages of publication | 5288 - 5291 |
| a | 7.6607 ± 0.0007 Å |
| b | 9.2315 ± 0.0007 Å |
| c | 11.127 ± 0.0008 Å |
| α | 72.019 ± 0.007° |
| β | 79.887 ± 0.007° |
| γ | 74.428 ± 0.007° |
| Cell volume | 717.29 ± 0.11 Å3 |
| Cell temperature | 293.6 ± 0.1 K |
| Ambient diffraction temperature | 293.6 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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 |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555826.cif |
| 239154 | 2019-11-24 | cif/ Adding structures of 1555826 via cif-deposit CGI script. |
1555826.cif |
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Users of the data should acknowledge the original authors of the
structural data.