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Information card for entry 1555379
Preview
| Coordinates | 1555379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H20 F3 N3 O |
|---|---|
| Calculated formula | C23 H20 F3 N3 O |
| SMILES | FC(F)(F)c1ccc(C2C3=C(Nc4c2c2c([nH]nc2)cc4)CC(C)(CC3=O)C)cc1 |
| Title of publication | Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route. |
| Authors of publication | Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5368 - 5371 |
| a | 13.6453 ± 0.0011 Å |
| b | 9.9432 ± 0.0008 Å |
| c | 14.4487 ± 0.0011 Å |
| α | 90° |
| β | 91.039 ± 0.002° |
| γ | 90° |
| Cell volume | 1960 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238583 (current) | 2019-11-24 | cif/ Adding structures of 1555379 via cif-deposit CGI script. |
1555379.cif |
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Users of the data should acknowledge the original authors of the
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