Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7235730
Preview
| Coordinates | 7235730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H16 O2 |
|---|---|
| Calculated formula | C22 H16 O2 |
| Title of publication | Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application |
| Authors of publication | Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng |
| Journal of publication | RSC Advances |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 24 |
| Pages of publication | 18609 |
| a | 10.361 ± 0.002 Å |
| b | 14.6319 ± 0.0007 Å |
| c | 20.1158 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3049.6 ± 0.6 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 3 |
| 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 | 0.068 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1224 |
| Weighted residual factors for all reflections included in the refinement | 0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.224 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235730.cif |
| 233266 | 2019-11-23 | cif/ Adding structures of 7235728, 7235729, 7235730, 7235731 via cif-deposit CGI script. |
7235730.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.