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Information card for entry 1555383
Preview
| Coordinates | 1555383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H24 N2 O2 |
|---|---|
| Calculated formula | C25 H24 N2 O2 |
| SMILES | O(C)c1ccc(C2c3ccc4ncccc4c3NC3=C2C(=O)CC(C3)(C)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 | 17.188 ± 0.006 Å |
| b | 9.172 ± 0.004 Å |
| c | 13.025 ± 0.005 Å |
| α | 90° |
| β | 108.831 ± 0.008° |
| γ | 90° |
| Cell volume | 1943.5 ± 1.3 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 | 0.0641 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238589 (current) | 2019-11-24 | cif/ Adding structures of 1555383 via cif-deposit CGI script. |
1555383.cif |
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Users of the data should acknowledge the original authors of the
structural data.