Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518063
Preview
| Coordinates | 4518063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 Br2 N3 O4 |
|---|---|
| Calculated formula | C19 H23 Br2 N3 O4 |
| Title of publication | Homoconjugated Acids as Low Cyclosiloxane-Producing Silanol Polycondensation Catalysts |
| Authors of publication | Roberts, John M.; Belowich, Matthew E.; Peterson, Thomas H.; Bellinger, Edward; Syverud, Karin; Laitar, David S.; Sidle, Tobias |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 38 |
| Pages of publication | 24954 - 24963 |
| a | 9.7284 ± 0.0006 Å |
| b | 10.1848 ± 0.0006 Å |
| c | 21.6633 ± 0.0013 Å |
| α | 90° |
| β | 95.2937 ± 0.0009° |
| γ | 90° |
| Cell volume | 2137.3 ± 0.2 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 | 0.0255 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0521 |
| Weighted residual factors for all reflections included in the refinement | 0.0535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257075 (current) | 2020-10-04 | cif/ Updating files of 4518063 Original log message: Adding full bibliography for 4518063.cif. |
4518063.cif |
| 256580 | 2020-09-22 | cif/ Adding structures of 4518063 via cif-deposit CGI script. |
4518063.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.