Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226443
Preview
| Coordinates | 7226443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1 PF6 |
|---|---|
| Formula | C29 H38 F6 P2 |
| Calculated formula | C29 H38 F6 P2 |
| Title of publication | Preparation of organic mechanochromic fluorophores with simple structures and promising mechanochromic luminescence properties |
| Authors of publication | Li, Gaocan; Xu, Yangyang; Zhuang, Weihua; Wang, Yunbing |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 10.7112 ± 0.0006 Å |
| b | 11.0294 ± 0.0006 Å |
| c | 13.696 ± 0.0005 Å |
| α | 107.945 ± 0.004° |
| β | 96.334 ± 0.004° |
| γ | 107.336 ± 0.005° |
| Cell volume | 1432.52 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0948 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1793 |
| Weighted residual factors for all reflections included in the refinement | 0.2011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186123 (current) | 2016-09-01 | cif/ Adding structures of 7226443, 7226444 via cif-deposit CGI script. |
7226443.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.