Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556534
Preview
| Coordinates | 1556534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | TPE-Py |
|---|---|
| Chemical name | TPE-EP-G |
| Formula | C34.5 H29 Cl F6 N P |
| Calculated formula | C34.5 H29 Cl F6 N P |
| SMILES | c1ccccc1C(=C(c1ccccc1)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)c1ccccc1.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures |
| Authors of publication | Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 997 - 1005 |
| a | 11.2525 ± 0.0002 Å |
| b | 9.2194 ± 0.00013 Å |
| c | 59.1397 ± 0.0009 Å |
| α | 90° |
| β | 93.8053 ± 0.0014° |
| γ | 90° |
| Cell volume | 6121.7 ± 0.17 Å3 |
| Cell temperature | 100.03 ± 0.11 K |
| Ambient diffraction temperature | 100.03 ± 0.11 K |
| Number of distinct elements | 6 |
| 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 | 0.0744 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1501 |
| Weighted residual factors for all reflections included in the refinement | 0.1577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279649 (current) | 2022-11-30 | cif/1 Fixing Z values and formulae |
1556534.cif |
| 257316 | 2020-10-06 | cif/ Updating files of 1556534, 1556535 Original log message: Adding full bibliography for 1556534--1556535.cif. |
1556534.cif |
| 247638 | 2020-02-04 | cif/ Updating files of 1556534, 1556535 Original log message: Adding full bibliography for 1556534--1556535.cif. |
1556534.cif |
| 245034 | 2019-12-13 | cif/ Adding structures of 1556534, 1556535 via cif-deposit CGI script. |
1556534.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.