Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107717
Preview
| Coordinates | 8107717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3-bromo-4-(2-bromo-ethyl)-5-(4-chloro-phenyl)-2-p- tolyl-furan |
|---|---|
| Formula | C19 H15 Br2 Cl O |
| Calculated formula | C19 H15 Br2 Cl O |
| SMILES | Brc1c(oc(c1CCBr)c1ccc(Cl)cc1)c1ccc(cc1)C |
| Title of publication | Crystal structure of 3-bromo-4-(2-bromo-ethyl)-5-(4-chloro-phenyl)-2-ptolyl- furan, C19H15Br2ClO |
| Authors of publication | Li, Shi-Hui; Zhao, Yan; Zhang, Meng-Yin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2015 |
| Journal volume | 230 |
| Journal issue | 2 |
| Pages of publication | 63 - 64 |
| a | 4.501 ± 0.002 Å |
| b | 16.229 ± 0.008 Å |
| c | 24.2 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1767.7 ± 1.4 Å3 |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0637 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288213 (current) | 2023-12-11 | cif/ Adding structures of 8107717 via cif-deposit CGI script. |
8107717.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.