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Information card for entry 1519657
Preview
| Coordinates | 1519657.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H28 Cl N O7 |
|---|---|
| Calculated formula | C24 H28 Cl N O7 |
| SMILES | Clc1ccc([C@@H]2N(O[C@H](OCC)CCC2(C(=O)OC)C(=O)OC)c2ccc(OC)cc2)cc1.Clc1ccc([C@H]2N(O[C@@H](OCC)CCC2(C(=O)OC)C(=O)OC)c2ccc(OC)cc2)cc1 |
| Title of publication | Highly diastereoselective and enantioselective formal [4 + 3] cycloaddition of donor-acceptor cyclobutanes with nitrones. |
| Authors of publication | Hu, Jiang-Lin; Wang, Lijia; Xu, Hao; Xie, Zuowei; Tang, Yong |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 11 |
| Pages of publication | 2680 - 2683 |
| a | 10.5446 ± 0.0012 Å |
| b | 9.5462 ± 0.001 Å |
| c | 24.575 ± 0.003 Å |
| α | 90° |
| β | 91.778 ± 0.002° |
| γ | 90° |
| Cell volume | 2472.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0743 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1354 |
| Weighted residual factors for all reflections included in the refinement | 0.1496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1519657.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1519657.cif |
| 140284 | 2015-07-05 | cif/ Updating files of 1519657, 1519658 Original log message: Adding full bibliography for 1519657--1519658.cif. |
1519657.cif |
| 136585 | 2015-05-15 | cif/ Adding structures of 1519657 via cif-deposit CGI script. |
1519657.cif |
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