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Information card for entry 1503537
Preview
| Coordinates | 1503537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H30 N4 O4 S2 |
|---|---|
| Calculated formula | C33 H30 N4 O4 S2 |
| SMILES | S(=O)(C)C.S=C1N[C@]2([C@@]3(N1c1ccc(OC)cc1)c1ccccc1NC3=O)c1c(N(Cc3ccccc3)C2=O)cccc1.S(=O)(C)C.S=C1N[C@@]2([C@]3(N1c1ccc(OC)cc1)c1ccccc1NC3=O)c1c(N(Cc3ccccc3)C2=O)cccc1 |
| Title of publication | Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles. |
| Authors of publication | Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 2 |
| Pages of publication | 490 - 493 |
| a | 11.244 ± 0.0002 Å |
| b | 19.7631 ± 0.0003 Å |
| c | 13.6481 ± 0.0002 Å |
| α | 90° |
| β | 92.766 ± 0.002° |
| γ | 90° |
| Cell volume | 3029.3 ± 0.08 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0502 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1503537.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. |
1503537.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503537.cif |
| 37907 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 1503537 via cif-deposit CGI script. |
1503537.cif |
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