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Information card for entry 1511875
Preview
| Coordinates | 1511875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H28 N2 O9 |
|---|---|
| Calculated formula | C32 H28 N2 O9 |
| SMILES | C1(=O)C2(c3ccccc3N1Cc1ccccc1)C(=C(C(C(=O)OC)(C(=O)OC)N2c1ccccc1)C(=O)OC)C(=O)OC |
| 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 | 7.9805 ± 0.0011 Å |
| b | 19.764 ± 0.003 Å |
| c | 17.862 ± 0.003 Å |
| α | 90° |
| β | 99.901 ± 0.002° |
| γ | 90° |
| Cell volume | 2775.4 ± 0.7 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 | 0.0642 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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. |
1511875.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. |
1511875.cif |
| 85767 | 2013-05-07 | cif/ Adding structures of 1511875 via cif-deposit CGI script. |
1511875.cif |
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Users of the data should acknowledge the original authors of the
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