Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226428
Preview
| Coordinates | 7226428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H64 Cl2 N4 O9 |
|---|---|
| Calculated formula | C70 H64 Cl2 N4 O9 |
| Title of publication | Formation of zwitterionic salts via three-component reaction of benzimidazolium bromides, aromatic aldehydes and 1,3-indanedione |
| Authors of publication | Jin, Gong; Sun, Jing; Yan, Chao Guo |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 18.0376 ± 0.0011 Å |
| b | 22.8076 ± 0.0014 Å |
| c | 16.8356 ± 0.0012 Å |
| α | 90° |
| β | 116.871 ± 0.0018° |
| γ | 90° |
| Cell volume | 6178.2 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1239 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.1526 |
| Weighted residual factors for all reflections included in the refinement | 0.1746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186118 (current) | 2016-09-01 | cif/ Adding structures of 7226428, 7226429, 7226430, 7226431 via cif-deposit CGI script. |
7226428.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.