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Information card for entry 7130842
Preview
| Coordinates | 7130842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H15 N3 O2 |
|---|---|
| Calculated formula | C22 H15 N3 O2 |
| SMILES | O=C1N(C(=O)c2c3c(ccc2)C(c2c3c1ccc2)=C(C#N)C#N)CCCC |
| Title of publication | A Class of Electron-Deficient Units: Fluorenone Imide and Its Electron-Withdrawing Group-Functionalized Derivatives |
| Authors of publication | Chen, Zhicai; Zhang, Yu; Wang, Pu; Yang, Jiaxin; Yang, Kun; Li, Jianfeng; Yang, Jie; Li, Yongchun; Dong, Huanli; Guo, Xugang |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 10.224 ± 0.0009 Å |
| b | 43.467 ± 0.004 Å |
| c | 7.785 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3459.7 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 45 |
| Hermann-Mauguin space group symbol | I b a 2 |
| Hall space group symbol | I 2 -2c |
| Residual factor for all reflections | 0.0805 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1571 |
| Weighted residual factors for all reflections included in the refinement | 0.1783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278524 (current) | 2022-10-12 | cif/ Adding structures of 7130842, 7130843 via cif-deposit CGI script. |
7130842.cif |
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