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Information card for entry 1511874
Preview
| Coordinates | 1511874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Dimethyl 1-allyl-2'-(4-nitrophenyl)-2-oxo-3'-(p-tolyl)spiro[indoline-3,4' -oxazolidine]-5',5'-dicarboxylate |
|---|---|
| Formula | C30 H27 N3 O8 |
| Calculated formula | C30 H27 N3 O8 |
| SMILES | [C@@H]1(c2ccc(cc2)N(=O)=O)N([C@]2(C(C(=O)OC)(C(=O)OC)O1)C(=O)N(c1ccccc21)CC=C)c1ccc(cc1)C.[C@H]1(c2ccc(cc2)N(=O)=O)N([C@@]2(C(C(=O)OC)(C(=O)OC)O1)C(=O)N(c1ccccc21)CC=C)c1ccc(cc1)C |
| Title of publication | Dual Behavior of Isatin-Based Cyclic Ketimines with Dicarbomethoxy Carbene: Expedient Synthesis of Highly Functionalized Spirooxindolyl Oxazolidines and Pyrrolines |
| Authors of publication | Rajasekaran, T.; Karthik, G.; Sridhar, B.; Subba Reddy, B. V. |
| Journal of publication | Organic Letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 7 |
| Pages of publication | 1512 |
| a | 22.5171 ± 0.0011 Å |
| b | 13.122 ± 0.0006 Å |
| c | 21.6558 ± 0.001 Å |
| α | 90° |
| β | 118.366 ± 0.001° |
| γ | 90° |
| Cell volume | 5630.3 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0818 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.2073 |
| Weighted residual factors for all reflections included in the refinement | 0.2225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1511874.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1511874.cif |
| 85766 | 2013-05-07 | cif/ Adding structures of 1511874 via cif-deposit CGI script. |
1511874.cif |
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Users of the data should acknowledge the original authors of the
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