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Information card for entry 7219034
Preview
| Coordinates | 7219034.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H36 Cl2 N2 O8 |
|---|---|
| Calculated formula | C41 H36 Cl2 N2 O8 |
| SMILES | c1ccccc1CN1c2ccc(cc2[C@]2(C1=O)[C@@H](C(=O)OCC)C([C@@H]([C@@]12c2c(ccc(c2)Cl)N(Cc2ccccc2)C1=O)C(=O)OCC)C(=O)OC)Cl.c1ccccc1CN1c2ccc(cc2[C@@]2(C1=O)[C@H](C(=O)OCC)C([C@H]([C@]12c2c(ccc(c2)Cl)N(Cc2ccccc2)C1=O)C(=O)OCC)C(=O)OC)Cl |
| Title of publication | Construction of dispirocyclohexyl-3,3’-bisoxindole and dispirocyclopentyl-3,3’-bisoxindole via cycloaddition reactions of N-benzylbenzimidazolium salts with 2-(2-oxoindolin-3-ylidene)acetates† |
| Authors of publication | Yan, Chao Guo; Sun, Jing; Shen, Guo-Liang |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| a | 10.8295 ± 0.0016 Å |
| b | 12.8333 ± 0.0019 Å |
| c | 15.121 ± 0.002 Å |
| α | 85.481 ± 0.002° |
| β | 76.954 ± 0.002° |
| γ | 75.004 ± 0.002° |
| Cell volume | 1977.1 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1257 |
| Residual factor for significantly intense reflections | 0.1064 |
| Weighted residual factors for significantly intense reflections | 0.289 |
| Weighted residual factors for all reflections included in the refinement | 0.3093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7219034.cif |
| 180521 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90. |
7219034.cif |
| 128492 | 2014-12-09 | cif/ Adding structures of 7219032, 7219033, 7219034, 7219035 via cif-deposit CGI script. |
7219034.cif |
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Users of the data should acknowledge the original authors of the
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