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Information card for entry 7236210
Preview
| Coordinates | 7236210.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Ethyl (1'S,2'S,3R)-1''-butyl-5''-methyl-2,2''-dioxo-1'-phenyl-1'',2'',5',6',7',7a'-hexahydro-1'H-dispiro[indoline-3,3'-pyrrolizine-2',3''-pyrrole]-4''-carboxylate |
|---|---|
| Formula | C31 H35 N3 O4 |
| Calculated formula | C31 H35 N3 O4 |
| Title of publication | Three-component access to 2-pyrrolin-5-ones and their use in target-oriented and diversity-oriented synthesis |
| Authors of publication | Cores, Ángel; Estévez, Verónica; Villacampa, Mercedes; Menéndez, J. Carlos |
| Journal of publication | RSC Advances |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 45 |
| Pages of publication | 39433 |
| a | 9.9204 ± 0.0004 Å |
| b | 11.2869 ± 0.0004 Å |
| c | 13.6057 ± 0.0006 Å |
| α | 69.094 ± 0.003° |
| β | 76.462 ± 0.003° |
| γ | 77.265 ± 0.003° |
| Cell volume | 1367.79 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1601 |
| Residual factor for significantly intense reflections | 0.1261 |
| Weighted residual factors for significantly intense reflections | 0.3169 |
| Weighted residual factors for all reflections included in the refinement | 0.3544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.957 |
| Diffraction radiation wavelength | 1.54178 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. |
7236210.cif |
| 235270 | 2019-11-23 | cif/ Adding structures of 7236210 via cif-deposit CGI script. |
7236210.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.