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Information card for entry 2235589
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| Coordinates | 2235589.cif |
|---|---|
| Structure factors | 2235589.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1'-Methyl-4'-(4-methylphenyl)dispiro[indane-2,3'-pyrrolidine-2',3''- indoline]-1,2''-dione |
|---|---|
| Formula | C27 H24 N2 O2 |
| Calculated formula | C27 H24 N2 O2 |
| SMILES | O=C1Nc2ccccc2[C@]21N(C[C@H]([C@@]12C(=O)c2ccccc2C1)c1ccc(cc1)C)C.O=C1Nc2ccccc2[C@@]21N(C[C@@H]([C@]12C(=O)c2ccccc2C1)c1ccc(cc1)C)C |
| Title of publication | 1'-Methyl-4'-(4-methylphenyl)dispiro[indane-2,3'-pyrrolidine-2',3''-indoline]-1,2''-dione |
| Authors of publication | Moustafa, A. M.; Girgis, Adel S.; Shalaby, S. M.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | o2197 - o2198 |
| a | 6.2414 ± 0.0002 Å |
| b | 11.3954 ± 0.0005 Å |
| c | 15.5563 ± 0.0007 Å |
| α | 78.386 ± 0.002° |
| β | 87.165 ± 0.002° |
| γ | 77.046 ± 0.002° |
| Cell volume | 1056.17 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1641 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1175 |
| Weighted residual factors for all reflections included in the refinement | 0.154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2235589.cif 2235589.hkl |
| 181277 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/55. |
2235589.cif 2235589.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2235589.cif 2235589.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235589.cif 2235589.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2235589.cif 2235589.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235589.cif 2235589.hkl |
| 64059 | 2012-08-11 | cif/ Adding structures of 2235589 via cif-deposit CGI script. |
2235589.cif |
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Users of the data should acknowledge the original authors of the
structural data.