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Information card for entry 7120834
Preview
| Coordinates | 7120834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H31 N3 O8 |
|---|---|
| Calculated formula | C29 H31 N3 O8 |
| SMILES | O1[C@H]2N(c3c([C@]2(CC1)c1cc(NC(=O)OC(C)(C)C)ccc1OC)cccc3)C(=O)c1ccc(N(=O)=O)cc1.O |
| Title of publication | Catalytic asymmetric chemodivergent arylative dearomatization of tryptophols |
| Authors of publication | Ma, Chun; Zhang, Ting; Zhou, Jia-Yu; Mei, Guang-Jian; Shi, Feng |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 13.172 ± 0.003 Å |
| b | 6.6186 ± 0.0008 Å |
| c | 16.673 ± 0.003 Å |
| α | 90° |
| β | 112.481 ± 0.018° |
| γ | 90° |
| Cell volume | 1343.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 all reflections | 0.0498 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202387 (current) | 2017-10-28 | cif/ Adding structures of 7120834 via cif-deposit CGI script. |
7120834.cif |
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Users of the data should acknowledge the original authors of the
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