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Information card for entry 2020277
Preview
| Coordinates | 2020277.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1''-Acetyl-1-benzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione |
|---|---|
| Formula | C39 H29 Cl N2 O4 |
| Calculated formula | C39 H29 Cl N2 O4 |
| SMILES | c12ccccc1[C@]1(C(=O)N2Cc2ccccc2)[C@]2([C@H]([C@H](c3ccc(cc3)Cl)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)C.c12ccccc1[C@@]1(C(=O)N2Cc2ccccc2)[C@@]2([C@@H]([C@@H](c3ccc(cc3)Cl)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)C |
| Title of publication | Structural consequences of weak interactions in dispirooxindole derivatives |
| Authors of publication | Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| a | 11.983 ± 0.0005 Å |
| b | 12.926 ± 0.0006 Å |
| c | 21.5664 ± 0.001 Å |
| α | 76.33 ± 0.001° |
| β | 76.522 ± 0.001° |
| γ | 77.553 ± 0.001° |
| Cell volume | 3110.6 ± 0.2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.1184 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1382 |
| Weighted residual factors for all reflections included in the refinement | 0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020277.cif |
| 169772 | 2015-10-28 | cif/ hkl/ Adding structures of 2020276, 2020277, 2020278, 2020279 via cif-deposit CGI script. |
2020277.cif |
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Users of the data should acknowledge the original authors of the
structural data.