Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160528
Preview
| Coordinates | 7160528.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 N3 O2 |
|---|---|
| Calculated formula | C19 H17 N3 O2 |
| Title of publication | Synthesis of 6-arylpyrimido[4,5-<i>e</i>]indolizine-2,4(1<i>H</i>,3<i>H</i>)-diones through InCl<sub>3</sub>-catalyzed cycloisomerization. |
| Authors of publication | Figueira de Abreu, Ruben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 14.5685 ± 0.001 Å |
| b | 7.0647 ± 0.0004 Å |
| c | 16.3807 ± 0.0011 Å |
| α | 90° |
| β | 116.123 ± 0.002° |
| γ | 90° |
| Cell volume | 1513.72 ± 0.17 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0501 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1165 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299568 (current) | 2025-05-08 | cif/ Adding structures of 7160528 via cif-deposit CGI script. |
7160528.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.