Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572973
Preview
Coordinates | 1572973.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H21 N O3 |
---|---|
Calculated formula | C20 H21 N O3 |
Title of publication | Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures. |
Authors of publication | Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin |
Journal of publication | Materials horizons |
Year of publication | 2024 |
a | 9.2173 ± 0.0014 Å |
b | 9.4972 ± 0.0011 Å |
c | 9.5809 ± 0.001 Å |
α | 88.263 ± 0.009° |
β | 82.367 ± 0.01° |
γ | 85.479 ± 0.011° |
Cell volume | 828.51 ± 0.18 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.0518 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.1143 |
Weighted residual factors for all reflections included in the refinement | 0.1225 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
295675 (current) | 2024-10-30 | cif/ Adding structures of 1572973, 1572974, 1572975 via cif-deposit CGI script. |
1572973.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.