Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7059309
Preview
Coordinates | 7059309.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5‒(4‒(1,2,2‒triphenylvinyl)phenyl)‒2H‒chromen‒2‒one |
---|---|
Formula | C35 H24 O2 |
Calculated formula | C35 H24 O2 |
Title of publication | Coumarin‒tetraphenylethylene regioisomers: synthesis, photophysical and aggregation-induced emission properties |
Authors of publication | Reddy, T. Sheshashena; Moon, Hyungkyu; Choi, Myung-Seok |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 13 |
Pages of publication | 4992 - 5000 |
a | 9.0695 ± 0.0004 Å |
b | 30.7871 ± 0.0015 Å |
c | 9.1428 ± 0.0004 Å |
α | 90° |
β | 101.22 ± 0.0017° |
γ | 90° |
Cell volume | 2504.1 ± 0.2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0889 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.1131 |
Weighted residual factors for all reflections included in the refinement | 0.1407 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/7059309.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.