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Information card for entry 2020062
Preview
| Coordinates | 2020062.cif |
|---|---|
| Structure factors | 2020062.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>tert</i>-Butyl 1''-methyl-2,2''-dioxo-4'-phenyl-5'-(<i>p</i>-tolyl)-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-1-carboxylate |
|---|---|
| Formula | C37 H34 N2 O5 |
| Calculated formula | C37 H34 N2 O5 |
| SMILES | c12ccccc1[C@@]1(C(=O)N2C)[C@@]2([C@@H]([C@@H](c3ccc(cc3)C)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)OC(C)(C)C.c12ccccc1[C@]1(C(=O)N2C)[C@]2([C@H]([C@H](c3ccc(cc3)C)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)OC(C)(C)C |
| Title of publication | Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity |
| Authors of publication | Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| a | 10.1226 ± 0.0009 Å |
| b | 14.3682 ± 0.0013 Å |
| c | 21.353 ± 0.002 Å |
| α | 90° |
| β | 91.799 ± 0.002° |
| γ | 90° |
| Cell volume | 3104.1 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.059 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020062.cif 2020062.hkl |
| 181870 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020062.cif 2020062.hkl |
| 152266 | 2015-07-18 | cif/ hkl/ Adding structures of 2020060, 2020061, 2020062 via cif-deposit CGI script. |
2020062.cif 2020062.hkl |
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Users of the data should acknowledge the original authors of the
structural data.