Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7232163
Preview
Coordinates | 7232163.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H34 N2 O3 S |
---|---|
Calculated formula | C35 H34 N2 O3 S |
Title of publication | Aggregation induced emission by pyridinium‒pyridinium interactions |
Authors of publication | Leduskrasts, Kaspars; Suna, Edgars |
Journal of publication | RSC Advances |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 1 |
Pages of publication | 460 |
a | 29.4101 ± 0.001 Å |
b | 8.4373 ± 0.0002 Å |
c | 30.7626 ± 0.0011 Å |
α | 90° |
β | 115.777 ± 0.002° |
γ | 90° |
Cell volume | 6873.9 ± 0.4 Å3 |
Cell temperature | 190 ± 2 K |
Ambient diffraction temperature | 190 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.168 |
Residual factor for significantly intense reflections | 0.0738 |
Weighted residual factors for significantly intense reflections | 0.1717 |
Weighted residual factors for all reflections included in the refinement | 0.2083 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
213041 (current) | 2019-01-13 | cif/ Adding structures of 7232161, 7232162, 7232163, 7232164, 7232165 via cif-deposit CGI script. |
7232163.cif |
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.