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Information card for entry 7152753
Preview
| Coordinates | 7152753.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H24 Cl2 N2 O3 |
|---|---|
| Calculated formula | C34 H24 Cl2 N2 O3 |
| SMILES | c12ccc(C)cc1[C@@]1(C(=O)N2)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(cc2)Cl)[C@H]1C(=O)c1ccc(cc1)Cl.c12ccc(C)cc1[C@]1(C(=O)N2)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(cc2)Cl)[C@@H]1C(=O)c1ccc(cc1)Cl |
| Title of publication | Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles. |
| Authors of publication | Wu, Lei; Sun, Jing; Yan, Chao-Guo |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2012 |
| Journal volume | 10 |
| Journal issue | 47 |
| Pages of publication | 9452 - 9463 |
| a | 9.7306 ± 0.0018 Å |
| b | 12.134 ± 0.002 Å |
| c | 15.316 ± 0.003 Å |
| α | 79.865 ± 0.003° |
| β | 75.145 ± 0.003° |
| γ | 70.894 ± 0.002° |
| Cell volume | 1643.2 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0921 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1721 |
| Weighted residual factors for all reflections included in the refinement | 0.1955 |
| 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 |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152753.cif |
| 180313 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/27. |
7152753.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152753.cif |
| 71756 | 2013-01-20 | cif/ Adding structures of 7152752, 7152753, 7152754, 7152755, 7152756 via cif-deposit CGI script. |
7152753.cif |
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Users of the data should acknowledge the original authors of the
structural data.