Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1574583
Preview
| Coordinates | 1574583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H47 Br2 N3 O4 |
|---|---|
| Calculated formula | C53 H47 Br2.0005 N3 O4 |
| Title of publication | Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior |
| Authors of publication | Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 38.3843 ± 0.0011 Å |
| b | 7.1312 ± 0.0002 Å |
| c | 33.4701 ± 0.0007 Å |
| α | 90° |
| β | 97.967 ± 0.003° |
| γ | 90° |
| Cell volume | 9073.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1165 |
| Residual factor for significantly intense reflections | 0.0909 |
| Weighted residual factors for significantly intense reflections | 0.2569 |
| Weighted residual factors for all reflections included in the refinement | 0.2806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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 |
|---|---|---|---|
| 299546 (current) | 2025-05-07 | cif/ Adding structures of 1574583, 1574584, 1574585 via cif-deposit CGI script. |
1574583.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.