Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229027
Preview
Coordinates | 7229027.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H34 N4 O |
---|---|
Calculated formula | C36 H34 N4 O |
SMILES | N#CC(=C1C=C(OC(=C1)/C=C/c1cccc2n(ccc12)CC(C)C)/C=C/c1cccc2n(ccc12)CC(C)C)C#N |
Title of publication | Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module |
Authors of publication | Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue |
Journal of publication | RSC Adv. |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 67 |
Pages of publication | 42180 |
a | 11.5539 ± 0.0004 Å |
b | 17.9477 ± 0.0006 Å |
c | 17.9799 ± 0.0005 Å |
α | 105.002 ± 0.002° |
β | 96.23 ± 0.002° |
γ | 99.152 ± 0.002° |
Cell volume | 3511.4 ± 0.2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1375 |
Residual factor for significantly intense reflections | 0.0917 |
Weighted residual factors for significantly intense reflections | 0.2407 |
Weighted residual factors for all reflections included in the refinement | 0.2779 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
Diffraction radiation wavelength | 1.54178 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/7229027.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.