Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7236850
Preview
| Coordinates | 7236850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | BMO-PH |
|---|---|
| Chemical name | (Z)-4-([1,1'-biphenyl]-4-ylmethylene)-2-methyloxazol-5(4H)-one |
| Formula | C17 H13 N O2 |
| Calculated formula | C17 H13 N O2 |
| Title of publication | Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism |
| Authors of publication | Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 29 |
| Pages of publication | 7191 |
| a | 7.1873 ± 0.0005 Å |
| b | 9.3467 ± 0.0007 Å |
| c | 9.6678 ± 0.0007 Å |
| α | 95.859 ± 0.006° |
| β | 102.212 ± 0.006° |
| γ | 90.885 ± 0.006° |
| Cell volume | 630.99 ± 0.08 Å3 |
| Cell temperature | 99.9 ± 0.5 K |
| Ambient diffraction temperature | 99.9 ± 0.5 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 | 0.0334 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236850.cif |
| 236570 | 2019-11-24 | cif/ Adding structures of 7236844, 7236845, 7236846, 7236847, 7236848, 7236849, 7236850 via cif-deposit CGI script. |
7236850.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.