Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105209
Preview
Coordinates | 8105209.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5,4'-dihydroxy-3,7,3'-tyimethoxy-flavone |
---|---|
Formula | C36 H32 O14 |
Calculated formula | C36 H32 O14 |
Title of publication | Crystal structure of a second modification of Pachypodol, C18H16O7 |
Authors of publication | Xu, Chuan-Yan; Dong, Ming-Hong; Ye, Jiang-Hai; Zhao, Chen-Liang; Zou, Juan; Zhang, Jing-Jie |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2022 |
Journal volume | 237 |
Journal issue | 2 |
Pages of publication | 297 - 299 |
a | 7.3948 ± 0.0003 Å |
b | 24.2947 ± 0.0009 Å |
c | 17.3201 ± 0.0006 Å |
α | 90° |
β | 93.063 ± 0.001° |
γ | 90° |
Cell volume | 3107.2 ± 0.2 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 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 | 0.0586 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.1241 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71076 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8105209.html
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.