Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7120653
Preview
| Coordinates | 7120653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34.5 H19 Cl F2 O2 |
|---|---|
| Calculated formula | C34.5 H19 Cl F2 O2 |
| Title of publication | TPZ, a bright centrosymmetric two-photon scaffold for bioimaging |
| Authors of publication | Lei, Zuhai; Yue, Ping; Wang, Xueli; Li, Xinran; Li, Yi; He, Haihong; Luo, Xiao; Meng, Xiangming; Chen, Jinquan; Qian, Xu Hong; Yang, Youjun C. |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 11.558 ± 0.003 Å |
| b | 16.573 ± 0.005 Å |
| c | 13.868 ± 0.004 Å |
| α | 90° |
| β | 109.866 ± 0.005° |
| γ | 90° |
| Cell volume | 2498.3 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1182 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200864 (current) | 2017-09-14 | cif/ Adding structures of 7120653 via cif-deposit CGI script. |
7120653.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.