Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229525
Preview
Coordinates | 7229525.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H27 N O2 |
---|---|
Calculated formula | C23 H27 N O2 |
SMILES | [n+]1(c(cc(C2=C([O-])CC(CC2=O)(C)C)cc1C)C)[C@H](C)c1ccccc1 |
Title of publication | The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures |
Authors of publication | Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue |
Journal of publication | RSC Advances |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 81 |
Pages of publication | 51444 |
a | 6.7838 ± 0.0011 Å |
b | 11.793 ± 0.002 Å |
c | 12.664 ± 0.002 Å |
α | 90° |
β | 104.498 ± 0.004° |
γ | 90° |
Cell volume | 980.9 ± 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 | 0.0683 |
Residual factor for significantly intense reflections | 0.0575 |
Weighted residual factors for significantly intense reflections | 0.1551 |
Weighted residual factors for all reflections included in the refinement | 0.165 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7229525.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.