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Information card for entry 4519108
Preview
| Coordinates | 4519108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 N O4 |
|---|---|
| Calculated formula | C19 H17 N O4 |
| SMILES | O(c1c2Nc3c4c(OC(C=C4)(C)C)cc(O)c3C(=O)c2ccc1)C |
| Title of publication | Studies Directed towards the Synthesis of the Acridone Family of Natural Products: Total Synthesis of Acronycines and Atalaphyllidines. |
| Authors of publication | Mandal, Tirtha; Karmakar, Shilpi; Kapat, Ajoy; Dash, Jyotirmayee |
| Journal of publication | ACS omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 41 |
| Pages of publication | 27062 - 27069 |
| a | 21.358 ± 0.003 Å |
| b | 7.2946 ± 0.0011 Å |
| c | 22.017 ± 0.003 Å |
| α | 90° |
| β | 118.225 ± 0.002° |
| γ | 90° |
| Cell volume | 3022.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.0651 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270248 (current) | 2021-11-03 | cif/ Adding structures of 4519108 via cif-deposit CGI script. |
4519108.cif |
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Users of the data should acknowledge the original authors of the
structural data.