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Information card for entry 1529847
Preview
| Coordinates | 1529847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H22 N2 O2 |
|---|---|
| Calculated formula | C21 H22 N2 O2 |
| SMILES | O=C1[C@H]2C(c3cn(c4c3c(ccc4)[C@]1(C#N)[C@@H]([C@@H](O)C2)C=C)C)(C)C |
| Title of publication | Total Synthesis of (-)-N-Methylwelwitindolinone C Isothiocyanate Based on a Pd-Catalyzed Tandem Enolate Coupling Strategy. |
| Authors of publication | Komine, Keita; Nomura, Yusuke; Ishihara, Jun; Hatakeyama, Susumi |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 15 |
| Pages of publication | 3918 - 3921 |
| a | 9.702 ± 0.003 Å |
| b | 7.4213 ± 0.0019 Å |
| c | 12.862 ± 0.004 Å |
| α | 90° |
| β | 103.265 ± 0.005° |
| γ | 90° |
| Cell volume | 901.4 ± 0.5 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 154506 (current) | 2015-09-05 | cif/ Adding structures of 1529847 via cif-deposit CGI script. |
1529847.cif |
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