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Information card for entry 7236849
Preview
| Coordinates | 7236849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | BMO-PC |
|---|---|
| Chemical name | (Z)-4'-((2-methyl-5-oxooxazol-4(5H)-ylidene)methyl)-[1,1'-biphenyl]-4-carbonitrile |
| Formula | C18 H12 N2 O2 |
| Calculated formula | C18 H12 N2 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 | 3.9036 ± 0.0002 Å |
| b | 13.2662 ± 0.0008 Å |
| c | 13.377 ± 0.0009 Å |
| α | 88.642 ± 0.005° |
| β | 85.39 ± 0.005° |
| γ | 85.977 ± 0.005° |
| Cell volume | 688.68 ± 0.07 Å3 |
| Cell temperature | 99.9 ± 0.4 K |
| Ambient diffraction temperature | 99.9 ± 0.4 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 | 0.0417 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation probe | x-ray |
| 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. |
7236849.cif |
| 236570 | 2019-11-24 | cif/ Adding structures of 7236844, 7236845, 7236846, 7236847, 7236848, 7236849, 7236850 via cif-deposit CGI script. |
7236849.cif |
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Users of the data should acknowledge the original authors of the
structural data.