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Information card for entry 1554378
Preview
| Coordinates | 1554378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H26 N2 O3 |
|---|---|
| Calculated formula | C24 H26 N2 O3 |
| SMILES | O=C1N(N=C2[C@@H]([C@@H]1c1ccc(cc1)C)CCc1ccccc21)C(=O)OC(C)(C)C |
| Title of publication | An isothiourea-catalyzed asymmetric formal [4 + 2] cycloaddition of in situ generated azoalkenes with C1 ammonium enolates |
| Authors of publication | Zhang, Zi-Jing; Song, Jin |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 17 |
| Pages of publication | 2578 |
| a | 10.2146 ± 0.0004 Å |
| b | 11.7243 ± 0.0005 Å |
| c | 10.2644 ± 0.0004 Å |
| α | 90° |
| β | 119.315 ± 0.002° |
| γ | 90° |
| Cell volume | 1071.84 ± 0.08 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237175 (current) | 2019-11-24 | cif/ Adding structures of 1554378 via cif-deposit CGI script. |
1554378.cif |
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Users of the data should acknowledge the original authors of the
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