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Information card for entry 1554767
Preview
| Coordinates | 1554767.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H24 Cl N O3 |
|---|---|
| Calculated formula | C31 H24 Cl N O3 |
| SMILES | c1(cccc(c1)C(=O)O[C@@]1(C(=O)N(c2c1cccc2)C)[C@@H](/C=C/c1ccccc1)c1ccccc1)Cl |
| Title of publication | Palladium catalyzed asymmetric allylation of 3-OBoc-oxindoles: an efficient synthesis of 3-allyl-3-hydroxyoxindoles. |
| Authors of publication | Jayakumar, Samydurai; Kumarswamyreddy, Nandarapu; Prakash, Muthuraj; Kesavan, Venkitasamy |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 5 |
| Pages of publication | 1066 - 1069 |
| a | 7.081 ± 0.0004 Å |
| b | 19.406 ± 0.0012 Å |
| c | 9.491 ± 0.0006 Å |
| α | 90° |
| β | 98.161 ± 0.002° |
| γ | 90° |
| Cell volume | 1290.99 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0981 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554767.cif |
| 238109 | 2019-11-24 | cif/ Adding structures of 1554767 via cif-deposit CGI script. |
1554767.cif |
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Users of the data should acknowledge the original authors of the
structural data.