Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107243
Preview
| Coordinates | 8107243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 N2 O2 |
|---|---|
| Calculated formula | C20 H24 N2 O2 |
| SMILES | Oc1c(cccc1C(C)(C)C)/C=N/c1ccc(cc1)/C(=N/OC)C |
| Title of publication | Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C20H24N2O2 |
| Authors of publication | Zhao, Ji-Xing; Wang, Xiao-Jun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 885 - 887 |
| a | 14.5088 ± 0.0004 Å |
| b | 17.4849 ± 0.0006 Å |
| c | 7.1398 ± 0.0002 Å |
| α | 90° |
| β | 97.933 ± 0.001° |
| γ | 90° |
| Cell volume | 1793.93 ± 0.09 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283936 (current) | 2023-05-22 | cif/ Adding structures of 8107243 via cif-deposit CGI script. |
8107243.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.