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Information card for entry 1555378
Preview
| Coordinates | 1555378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H21 N2 O4 |
|---|---|
| Calculated formula | C21 H21 N2 O4 |
| SMILES | c1ccc(cn1)C1C2C(=O)CC(CC=2Nc2c1cc1c(c2)OCO1)(C)C.O |
| 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 | 9.5002 ± 0.0007 Å |
| b | 9.6957 ± 0.0006 Å |
| c | 10.3129 ± 0.0007 Å |
| α | 96.467 ± 0.004° |
| β | 104.739 ± 0.004° |
| γ | 98.162 ± 0.004° |
| Cell volume | 898.32 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0764 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1464 |
| Weighted residual factors for all reflections included in the refinement | 0.184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238581 (current) | 2019-11-24 | cif/ Adding structures of 1555378 via cif-deposit CGI script. |
1555378.cif |
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Users of the data should acknowledge the original authors of the
structural data.