Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7232802
Preview
Coordinates | 7232802.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H26 N2 O2 |
---|---|
Calculated formula | C28 H26 N2 O2 |
Title of publication | Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms |
Authors of publication | Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 29 |
Pages of publication | 4258 |
a | 20.0543 ± 0.0006 Å |
b | 8.8607 ± 0.0003 Å |
c | 25.1405 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4467.3 ± 0.2 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170.01 K |
Number of distinct elements | 4 |
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 | 0.1829 |
Residual factor for significantly intense reflections | 0.0926 |
Weighted residual factors for significantly intense reflections | 0.1703 |
Weighted residual factors for all reflections included in the refinement | 0.2082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7232802.html
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.