Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7238893
Preview
| Coordinates | 7238893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H35 Cl2 N9 O5 |
|---|---|
| Calculated formula | C37 H35 Cl2 N9 O5 |
| Title of publication | An efficient stereo-controlled synthesis of bis-pyrimido-[4,5-d]-pyrimidine derivatives via aza-Diels‒Alder methodology and their preliminary bioactivity |
| Authors of publication | Das, Subrata; Thakur, Ashim Jyoti; Medhi, Tapas; Das, Babulal |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | 3407 |
| a | 16.0317 ± 0.0017 Å |
| b | 22.181 ± 0.002 Å |
| c | 10.2433 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3642.5 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.0844 |
| Weighted residual factors for significantly intense reflections | 0.2139 |
| Weighted residual factors for all reflections included in the refinement | 0.2467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244450 (current) | 2019-11-28 | cif/ Adding structures of 7238893 via cif-deposit CGI script. |
7238893.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.