Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226263
Preview
| Coordinates | 7226263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-(((propan-2-ylideneamino)oxy)methyl)phenyl benzoate |
|---|---|
| Formula | C17 H17 N O3 |
| Calculated formula | C17 H17 N O3 |
| SMILES | N(=C(C)C)OCc1ccccc1OC(=O)c1ccccc1 |
| Title of publication | Pd-Catalyzed Direct Oxidative mono-Aroyloxylation of O-Aralkyl Substituted Acetoxime Ethers |
| Authors of publication | Ji, Yafei; Shao, Ling-Yan; Li, Chao; Guo, Ying; Yu, Kun-Kun; Zhao, Fei-Yi; Qiao, Wen-Li; Liu, Hong-Wei; Liao, Dao-Hua |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 12.049 ± 0.003 Å |
| b | 7.1678 ± 0.0019 Å |
| c | 35.147 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3035.5 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0913 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1462 |
| Weighted residual factors for all reflections included in the refinement | 0.1661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185826 (current) | 2016-08-16 | cif/ Adding structures of 7226263 via cif-deposit CGI script. |
7226263.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.