Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7133563
Preview
Coordinates | 7133563.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H19 N O3 |
---|---|
Calculated formula | C16 H19 N O3 |
Title of publication | H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals. |
Authors of publication | Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 74 |
Pages of publication | 10172 - 10175 |
a | 12.0189 ± 0.0003 Å |
b | 6.0835 ± 0.0002 Å |
c | 20.734 ± 0.0006 Å |
α | 90° |
β | 90.471 ± 0.003° |
γ | 90° |
Cell volume | 1515.96 ± 0.08 Å3 |
Cell temperature | 299.98 ± 0.1 K |
Ambient diffraction temperature | 299.98 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0517 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.1175 |
Weighted residual factors for all reflections included in the refinement | 0.1275 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133563.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.