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Information card for entry 1553568
Preview
| Coordinates | 1553568.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H30 N4 O3 |
|---|---|
| Calculated formula | C33 H30 N4 O3 |
| SMILES | C12=C(c3c(CC1)cccc3)C(=C(N([C@]12c2ccccc2N(C1=O)Cc1ccccc1)C(=O)OC(C)(C)C)N)C#N |
| Title of publication | Effective asymmetric vinylogous Mannich reaction of isatin imines with α,α-dicyanoolefins in the presence of a simple chiral amide phosphonium bifunctional phase transfer catalyst |
| Authors of publication | Cheng, Cang; Lu, Xuehe; Ge, Luo; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu; Zhao, Gang |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 101 |
| a | 8.902 ± 0.006 Å |
| b | 13.209 ± 0.009 Å |
| c | 12.059 ± 0.008 Å |
| α | 90° |
| β | 99.65 ± 0.007° |
| γ | 90° |
| Cell volume | 1397.9 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0389 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235147 (current) | 2019-11-23 | cif/ Adding structures of 1553568, 1553569 via cif-deposit CGI script. |
1553568.cif |
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Users of the data should acknowledge the original authors of the
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