Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1567388
Preview
Coordinates | 1567388.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H22 N O3 |
---|---|
Calculated formula | C12 H22 N O3 |
Title of publication | A nonconjugated radical polymer with stable red luminescence in the solid state. |
Authors of publication | Wang, Zhaoyu; Zou, Xinhui; Xie, Yi; Zhang, Haoke; Hu, Lianrui; Chan, Christopher C. S.; Zhang, Ruoyao; Guo, Jing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Williams, Ian D.; Zeng, Zebing; Wong, Kam Sing; Sherrill, C. David; Ye, Ruquan; Tang, Ben Zhong |
Journal of publication | Materials horizons |
Year of publication | 2022 |
Journal volume | 9 |
Journal issue | 10 |
Pages of publication | 2564 - 2571 |
a | 5.8166 ± 0.0001 Å |
b | 11.4718 ± 0.0002 Å |
c | 9.5696 ± 0.0002 Å |
α | 90° |
β | 103.897 ± 0.002° |
γ | 90° |
Cell volume | 619.86 ± 0.02 Å3 |
Cell temperature | 100.2 ± 0.8 K |
Ambient diffraction temperature | 100.2 ± 0.8 K |
Number of distinct elements | 4 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0924 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
278480 (current) | 2022-10-07 | cif/ Updating files of 1567388 Original log message: Adding full bibliography for 1567388.cif. |
1567388.cif |
276912 | 2022-07-24 | cif/ Adding structures of 1567388 via cif-deposit CGI script. |
1567388.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.