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Information card for entry 7239132
Preview
| Coordinates | 7239132.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H38 N2 O8 S |
|---|---|
| Calculated formula | C39 H38 N2 O8 S |
| Title of publication | Organocatalyzed aza-Michael–Michael cascade reactions to construct spirooxindole tetrahydroquinolines with all-carbon chiral centers |
| Authors of publication | Huang, You-ming; Zheng, Chang-wu; Zhao, Gang |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 38 |
| Pages of publication | 16999 |
| a | 17.7927 ± 0.0014 Å |
| b | 11.1432 ± 0.0009 Å |
| c | 18.4952 ± 0.0015 Å |
| α | 90° |
| β | 102.033 ± 0.002° |
| γ | 90° |
| Cell volume | 3586.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239132.cif |
| 244564 | 2019-11-28 | cif/ Adding structures of 7239132 via cif-deposit CGI script. |
7239132.cif |
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Users of the data should acknowledge the original authors of the
structural data.