Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241107
Preview
| Coordinates | 7241107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H30 N2 O2 |
|---|---|
| Calculated formula | C44 H30 N2 O2 |
| Title of publication | Synthesis, photophysical and mechanochromic properties of novel 2,3,4,6-tetraaryl-4H-pyran derivatives |
| Authors of publication | Xie, Yufeng; Wang, Zhiqiang; Liu, Xiaoqing; Liu, Miaochang; Lei, Yunxiang; Zhou, Yun-Bing; Gao, Wenxia; Huang, Xiaobo; Wu, Huayue |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 9.9622 ± 0.0007 Å |
| b | 10.257 ± 0.0007 Å |
| c | 18.2695 ± 0.0011 Å |
| α | 90.165 ± 0.002° |
| β | 93.058 ± 0.002° |
| γ | 93.993 ± 0.002° |
| Cell volume | 1859.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0956 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.1722 |
| Weighted residual factors for all reflections included in the refinement | 0.1938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241107.cif |
| 255614 | 2020-08-25 | cif/ Adding structures of 7241106, 7241107 via cif-deposit CGI script. |
7241107.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.