Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7222129
Preview
| Coordinates | 7222129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H23 N O8 |
|---|---|
| Calculated formula | C16 H24 N O7 |
| SMILES | O.O.O.[O-]c1c(/C=C/c2cc[n+](C)cc2)cc(cc1OC)C=O.O |
| Title of publication | An ICT based ultraselective and sensitive fluorescent probe for detection of HClO in living cells |
| Authors of publication | Yue, Yongkang; Huo, Fangjun; Yin, Caixia; Chao, Jianbin; Yongbin Zhang, Yongbin Zhang; Wei, Xing |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 95 |
| Pages of publication | 77670 |
| a | 6.3846 ± 0.0013 Å |
| b | 16.788 ± 0.004 Å |
| c | 7.9738 ± 0.0016 Å |
| α | 90° |
| β | 92.052 ± 0.004° |
| γ | 90° |
| Cell volume | 854.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 156317 (current) | 2015-09-15 | cif/ Adding structures of 7222129 via cif-deposit CGI script. |
7222129.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.