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Information card for entry 1555382
Preview
| Coordinates | 1555382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 N2 O |
|---|---|
| Calculated formula | C24 H22 N2 O |
| SMILES | O=C1CC(CC2=C1C(c1ccc3ncccc3c1N2)c1ccccc1)(C)C |
| 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 | 17.6141 ± 0.0008 Å |
| b | 8.5636 ± 0.0004 Å |
| c | 12.8104 ± 0.0006 Å |
| α | 90° |
| β | 107.202 ± 0.002° |
| γ | 90° |
| Cell volume | 1845.89 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.134 |
| Weighted residual factors for all reflections included in the refinement | 0.1675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238588 (current) | 2019-11-24 | cif/ Adding structures of 1555382 via cif-deposit CGI script. |
1555382.cif |
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Users of the data should acknowledge the original authors of the
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