Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7152752
Preview
| Coordinates | 7152752.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H30 N2 O4 |
|---|---|
| Calculated formula | C31 H30 N2 O4 |
| SMILES | c12ccccc1C=C[C@@H]1[C@]3([C@@H]([C@@H](C(=O)c4ccccc4)N21)C(=O)C)C(=O)Nc1ccc(C)cc31.C(C)O.c12ccccc1C=C[C@H]1[C@@]3([C@H]([C@H](C(=O)c4ccccc4)N21)C(=O)C)C(=O)Nc1ccc(C)cc31.C(C)O |
| 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 | 14.1251 ± 0.0019 Å |
| b | 11.6285 ± 0.0015 Å |
| c | 16.905 ± 0.002 Å |
| α | 90° |
| β | 101.455 ± 0.002° |
| γ | 90° |
| Cell volume | 2721.4 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0835 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1709 |
| Weighted residual factors for all reflections included in the refinement | 0.1948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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. |
7152752.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. |
7152752.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152752.cif |
| 71756 | 2013-01-20 | cif/ Adding structures of 7152752, 7152753, 7152754, 7152755, 7152756 via cif-deposit CGI script. |
7152752.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.