Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555377
Preview
| Coordinates | 1555377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 F3 N O4 |
|---|---|
| Calculated formula | C24 H24 F3 N O4 |
| SMILES | CC1(CC2=C(C(c3ccc(C(F)(F)F)cc3)c3c(cc4c(c3)OCO4)N2)C(=O)C1)C.CO |
| Title of publication | Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route. |
| Authors of publication | Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5368 - 5371 |
| a | 28.0198 ± 0.0017 Å |
| b | 9.2681 ± 0.0005 Å |
| c | 17.0333 ± 0.001 Å |
| α | 90° |
| β | 104.376 ± 0.002° |
| γ | 90° |
| Cell volume | 4284.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0777 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238579 (current) | 2019-11-24 | cif/ Adding structures of 1555377 via cif-deposit CGI script. |
1555377.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.