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Information card for entry 2020276
Preview
| Coordinates | 2020276.cif |
|---|---|
| Structure factors | 2020276.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1,1''-Dibenzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione |
|---|---|
| Formula | C44 H33 Cl N2 O3 |
| Calculated formula | C44 H33 Cl N2 O3 |
| SMILES | c12ccccc1[C@@]1(C(=O)N2Cc2ccccc2)[C@@]2([C@@H]([C@@H](c3ccc(cc3)Cl)O1)c1ccccc1)c1ccccc1N(C2=O)Cc1ccccc1.c12ccccc1[C@]1(C(=O)N2Cc2ccccc2)[C@]2([C@H]([C@H](c3ccc(cc3)Cl)O1)c1ccccc1)c1ccccc1N(C2=O)Cc1ccccc1 |
| 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 | 10.1099 ± 0.001 Å |
| b | 11.3367 ± 0.0011 Å |
| c | 17.0315 ± 0.0017 Å |
| α | 74.755 ± 0.002° |
| β | 78.503 ± 0.002° |
| γ | 65.557 ± 0.002° |
| Cell volume | 1705.4 ± 0.3 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 | 0.0795 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Weighted residual factors for all reflections included in the refinement | 0.1551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| 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. |
2020276.cif 2020276.hkl |
| 181872 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02 |
2020276.cif 2020276.hkl |
| 169772 | 2015-10-28 | cif/ hkl/ Adding structures of 2020276, 2020277, 2020278, 2020279 via cif-deposit CGI script. |
2020276.cif 2020276.hkl |
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Users of the data should acknowledge the original authors of the
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