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Information card for entry 7152698
Preview
| Coordinates | 7152698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H24 N2 O6 |
|---|---|
| Calculated formula | C24 H24 N2 O6 |
| SMILES | O=C1N(c2ccccc2[C@]21N(O[C@@H](CC2(C(=O)OC)C(=O)OC)C=C)c1ccccc1)C.O=C1N(c2ccccc2[C@@]21N(O[C@H](CC2(C(=O)OC)C(=O)OC)C=C)c1ccccc1)C |
| Title of publication | Yb(NTf(2))(3)-catalyzed [3 + 3] cycloaddition between isatin ketonitrones and cyclopropanes to construct novel spiro[tetrahydro-1,2-oxazine]oxindoles. |
| Authors of publication | Yang, Hai-Bin; Shi, Min |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2012 |
| Journal volume | 10 |
| Journal issue | 41 |
| Pages of publication | 8236 - 8243 |
| a | 8.7826 ± 0.0018 Å |
| b | 9.574 ± 0.002 Å |
| c | 13.717 ± 0.003 Å |
| α | 89.306 ± 0.004° |
| β | 81.155 ± 0.004° |
| γ | 83.165 ± 0.004° |
| Cell volume | 1131.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0672 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1324 |
| Weighted residual factors for all reflections included in the refinement | 0.1445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152698.cif |
| 180312 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/26. |
7152698.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152698.cif |
| 71726 | 2013-01-20 | cif/ Adding structures of 7152697, 7152698 via cif-deposit CGI script. |
7152698.cif |
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Users of the data should acknowledge the original authors of the
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