Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518174
Preview
| Coordinates | 4518174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Charles32 (Nansi) |
|---|---|
| Formula | C24 H18 Br N O3 |
| Calculated formula | C24 H18 Br N O3 |
| Title of publication | Increasing the Alkaline Stability of <i>N</i>,<i>N</i>-Diaryl Carbazolium Salts Using Substituent Electronic Effects. |
| Authors of publication | Gjineci, Nansi; Aharonovich, Sinai; Dekel, Dario R.; Diesendruck, Charles E. |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 12.351 ± 0.0004 Å |
| b | 17.281 ± 0.0011 Å |
| c | 19.134 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4083.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1118 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1175 |
| Weighted residual factors for all reflections included in the refinement | 0.1366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258582 (current) | 2020-10-24 | cif/ Adding structures of 4518174 via cif-deposit CGI script. |
4518174.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.