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Information card for entry 7219619
Preview
| Coordinates | 7219619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | KSH |
|---|---|
| Formula | C49 H34 Cl N O4 |
| Calculated formula | C49 H34 Cl N O4 |
| SMILES | C1(=O)c2cccc3cccc(c23)[C@@]21C[C@@](c1ccc(cc1)c1ccccc1)([C@]1(c3cc(ccc3N(C1=O)Cc1ccccc1)Cl)[C@H]2C(=O)c1ccccc1)O.C1(=O)c2cccc3cccc(c23)[C@]21C[C@](c1ccc(cc1)c1ccccc1)([C@@]1(c3cc(ccc3N(C1=O)Cc1ccccc1)Cl)[C@@H]2C(=O)c1ccccc1)O |
| Title of publication | Base Catalysed Domino and Self-domino Michael-Aldol Reactions: One-pot Synthesis of Dispirocyclopentaneoxindoles Containing Multiple Chiral Stereocenters |
| Authors of publication | Koorathota, Suman; Thennarasu, Sathiah |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 8.89 ± 0.005 Å |
| b | 10.257 ± 0.005 Å |
| c | 20.323 ± 0.005 Å |
| α | 91.701 ± 0.005° |
| β | 90.533 ± 0.005° |
| γ | 98.252 ± 0.005° |
| Cell volume | 1833 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0506 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
7219619.cif |
| 180527 | 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 7/21/96. |
7219619.cif |
| 132119 | 2015-02-20 | cif/ Adding structures of 7219619, 7219620 via cif-deposit CGI script. |
7219619.cif |
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Users of the data should acknowledge the original authors of the
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