Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7115545
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7115545.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H16 N2 O |
---|---|
Calculated formula | C22 H16 N2 O |
SMILES | n1c2ccccc2oc1/C=C/c1ccc2n(c3c(c2c1)cccc3)C |
Title of publication | Emission enhancement of a coplanar π-conjugated gelator without any auxiliary substituents |
Authors of publication | Xue, Pengchong; Yao, Boqi; Sun, Jiabao; Zhang, Zhenqi; Lu, Ran |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2014 |
Journal volume | 50 |
Journal issue | 71 |
Pages of publication | 10284 - 10286 |
a | 6.0815 ± 0.001 Å |
b | 12.774 ± 0.004 Å |
c | 21.916 ± 0.005 Å |
α | 75.04 ± 0.03° |
β | 82.36 ± 0.03° |
γ | 87.09 ± 0.03° |
Cell volume | 1630 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.2584 |
Residual factor for significantly intense reflections | 0.1806 |
Weighted residual factors for significantly intense reflections | 0.4853 |
Weighted residual factors for all reflections included in the refinement | 0.5181 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.527 |
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/7115545.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.