Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558330
Preview
| Coordinates | 1558330.cif |
|---|---|
| Structure factors | 1558330.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-3-{4,6-dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one |
|---|---|
| Formula | C28 H28 O6 |
| Calculated formula | C28 H28 O6 |
| Title of publication | (<i>E</i>)-3-{4,6-Dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one |
| Authors of publication | Yoo, Miri; Koh, Dongsoo |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 6 |
| Pages of publication | x200792 |
| a | 9.9641 ± 0.0009 Å |
| b | 10.2338 ± 0.0009 Å |
| c | 23.541 ± 0.002 Å |
| α | 90° |
| β | 100.086 ± 0.002° |
| γ | 90° |
| Cell volume | 2363.4 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1078 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.883 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253205 (current) | 2020-06-17 | cif/ hkl/ Adding structures of 1558330 via cif-deposit CGI script. |
1558330.cif 1558330.hkl |
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.