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Information card for entry 7117252
Preview
| Coordinates | 7117252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 Cl N2 O3 |
|---|---|
| Calculated formula | C21 H19 Cl N2 O3 |
| SMILES | Clc1ccc([C@@H]2C(=O)O[C@@H](n3cccn3)C[C@H]2c2ccc(OC)cc2)cc1 |
| Title of publication | Organocatalytic enantio- and diastereoselective synthesis of highly substituted ?-lactones via a Michael-cyclization cascade |
| Authors of publication | Santosh Agrawal; Nagaraju Molleti; Vinod K. Singh |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 9793 |
| a | 6.1999 ± 0.0005 Å |
| b | 13.2765 ± 0.0011 Å |
| c | 23.277 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1916 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1017 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 137872 (current) | 2015-06-04 | cif/ Adding structures of 7117252 via cif-deposit CGI script. |
7117252.cif |
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