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Information card for entry 4516875
Preview
| Coordinates | 4516875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H28 B Cl2 F2 N3 O3 |
|---|---|
| Calculated formula | C36 H28 B Cl2 F2 N3 O3 |
| Title of publication | Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs. |
| Authors of publication | Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan |
| Journal of publication | ACS omega |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | 2568 - 2576 |
| a | 10.5005 ± 0.0014 Å |
| b | 10.9651 ± 0.0014 Å |
| c | 14.867 ± 0.0019 Å |
| α | 90.158 ± 0.002° |
| β | 104.416 ± 0.001° |
| γ | 102.641 ± 0.002° |
| Cell volume | 1614.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0729 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1492 |
| Weighted residual factors for all reflections included in the refinement | 0.1644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239605 (current) | 2019-11-24 | cif/ Adding structures of 4516874, 4516875, 4516876, 4516877 via cif-deposit CGI script. |
4516875.cif |
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Users of the data should acknowledge the original authors of the
structural data.