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Information card for entry 1555380
Preview
| Coordinates | 1555380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H27 N3 O |
|---|---|
| Calculated formula | C22 H27 N3 O |
| SMILES | O=C1C2=C(Nc3ccc4[nH]ncc4c3C2C2CCCCC2)CC(C1)(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 | 32.003 ± 0.003 Å |
| b | 7.0392 ± 0.0007 Å |
| c | 19.0154 ± 0.0019 Å |
| α | 90° |
| β | 120.399 ± 0.002° |
| γ | 90° |
| Cell volume | 3694.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0811 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238585 (current) | 2019-11-24 | cif/ Adding structures of 1555380 via cif-deposit CGI script. |
1555380.cif |
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Users of the data should acknowledge the original authors of the
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