Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7154592
Preview
| Coordinates | 7154592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H17 N O3 |
|---|---|
| Calculated formula | C16 H17 N O3 |
| SMILES | COC(=O)c1c(=O)n2CCc3c2c(ccc3)c1CCC |
| Title of publication | Ruthenium-catalyzed cyclization of N-carbamoyl indolines with alkynes: an efficient route to pyrroloquinolinones. |
| Authors of publication | Manoharan, Ramasamy; Jeganmohan, Masilamani |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 35 |
| Pages of publication | 9276 - 9284 |
| a | 8.1792 ± 0.0003 Å |
| b | 8.2361 ± 0.0003 Å |
| c | 11.9209 ± 0.0004 Å |
| α | 91.062 ± 0.002° |
| β | 95.422 ± 0.002° |
| γ | 119.402 ± 0.002° |
| Cell volume | 694.53 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0551 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.639 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7154592.cif |
| 155230 | 2015-09-08 | cif/ Updating files of 7154591, 7154592 Original log message: Adding full bibliography for 7154591--7154592.cif. |
7154592.cif |
| 152028 | 2015-07-14 | cif/ Adding structures of 7154591, 7154592 via cif-deposit CGI script. |
7154592.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.