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Information card for entry 7218782
Preview
| Coordinates | 7218782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (R)-1-benzyl-3-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)indolin-2-one |
|---|---|
| Formula | C23 H21 N O5 |
| Calculated formula | C23 H21 N O5 |
| SMILES | COc1c(cc([C@]2(C(=O)N(Cc3ccccc3)c3c2cccc3)O)c(c1)O)OC |
| Title of publication | Cinchonidine thiourea catalyzed asymmetric addition of phenols to oxindole derivatives |
| Authors of publication | Kaur, Jasneet; Kumar, Akshay; Chimni, Swapandeep Singh |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 107 |
| Pages of publication | 62367 |
| a | 8.4183 ± 0.0014 Å |
| b | 12.2957 ± 0.0019 Å |
| c | 9.3671 ± 0.0016 Å |
| α | 90° |
| β | 97.016 ± 0.006° |
| γ | 90° |
| Cell volume | 962.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
7218782.cif |
| 180518 | 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 7/21/87. |
7218782.cif |
| 127511 | 2014-11-19 | cif/ Adding structures of 7218782 via cif-deposit CGI script. |
7218782.cif |
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Users of the data should acknowledge the original authors of the
structural data.