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Information card for entry 7230549
Preview
| Coordinates | 7230549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H21 N O4 |
|---|---|
| Calculated formula | C27 H21 N O4 |
| Title of publication | A C1-symmetric N-heterocyclic carbene catalysed oxidative spiroannulation of isatin-derived enals: highly enantioselective synthesis of spirooxindole δ-lactones |
| Authors of publication | Lin, Jun-Bing; Cheng, Xi-Na; Tian, Xiao-Dong; Xu, Guo-Qiang; Luo, Yong-Chun; Xu, Peng-Fei |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 28 |
| Pages of publication | 15444 |
| a | 11.1093 ± 0.0002 Å |
| b | 12.6235 ± 0.0003 Å |
| c | 15.366 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2154.9 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0432 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1096 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7230549.cif |
| 207461 | 2018-04-24 | cif/ Adding structures of 7230549 via cif-deposit CGI script. |
7230549.cif |
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Users of the data should acknowledge the original authors of the
structural data.