Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106778
Preview
| Coordinates | 8106778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H33 N11 O14 |
|---|---|
| Calculated formula | C32 H33 N11 O14 |
| Title of publication | Crystal structure of (E)-2-((2-(2,4-dinitrophenyl)hydrazono)methyl)-4-nitrophenol — triethylamine (2/1), C32H33N11O14 |
| Authors of publication | Feng, Xun; Tian, Ai-Qin; Wang, Cai-Lu; Wang, Yang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 37 - 39 |
| a | 12.3339 ± 0.0018 Å |
| b | 37.764 ± 0.005 Å |
| c | 8.2077 ± 0.0012 Å |
| α | 90° |
| β | 109.053 ± 0.002° |
| γ | 90° |
| Cell volume | 3613.5 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1816 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280883 (current) | 2023-02-14 | cif/ Adding structures of 8106778 via cif-deposit CGI script. |
8106778.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.