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Information card for entry 7223937
Preview
| Coordinates | 7223937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H20 N2 O2 S |
|---|---|
| Calculated formula | C25 H20 N2 O2 S |
| SMILES | S1c2n(C)c3ccccc3c2[C@@H](c2ccccc2)[C@@H](NC(=O)c2ccccc2)C1=O.S1c2n(C)c3ccccc3c2[C@H](c2ccccc2)[C@H](NC(=O)c2ccccc2)C1=O |
| Title of publication | Organocatalyzed enantioselective [3+3] annulation for the direct synthesis of conformationally constrained cyclic tryptophan derivatives |
| Authors of publication | Wu, Lulu; Zheng, Yin; Wang, Youming; ZHOU, Zhenghong |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 19.897 ± 0.004 Å |
| b | 12.667 ± 0.003 Å |
| c | 8.4207 ± 0.0017 Å |
| α | 90° |
| β | 108.18 ± 0.03° |
| γ | 90° |
| Cell volume | 2016.4 ± 0.8 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.0722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174573 (current) | 2016-01-19 | cif/ Adding structures of 7223937 via cif-deposit CGI script. |
7223937.cif |
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Users of the data should acknowledge the original authors of the
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