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Information card for entry 7158660
Preview
| Coordinates | 7158660.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H23 N O3 |
|---|---|
| Calculated formula | C22 H23 N O3 |
| SMILES | O(N1C2(OC(C1=O)(C)C)/C(=C/c1ccccc1)CC2)Cc1ccccc1 |
| Title of publication | Synthesis of spirocyclic oxazole derivatives from 2-arylidene cycloalkanones and α-halohydroxamates |
| Authors of publication | Wan, Huiyang; Xia, Shuangshuang; Liu, Xinghua; Jian, Yongchan; An, Yuanyuan; Wang, Yubin |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2022 |
| a | 36.572 ± 0.004 Å |
| b | 5.7581 ± 0.0006 Å |
| c | 18.4236 ± 0.0019 Å |
| α | 90° |
| β | 106.802 ± 0.003° |
| γ | 90° |
| Cell volume | 3714.1 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274825 (current) | 2022-05-03 | cif/ Adding structures of 7158660 via cif-deposit CGI script. |
7158660.cif |
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Users of the data should acknowledge the original authors of the
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