Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107451
Preview
| Coordinates | 8107451.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 Cl2 O3 |
|---|---|
| Calculated formula | C18 H14 Cl2 O3 |
| SMILES | c1(ccc(cc1)[C@H](c1ccc([C@H](c2ccc(cc2)Cl)O)o1)O)Cl |
| Title of publication | The crystal structure of furan-2,5-diylbis((4-chlorophenyl)methanol), C18H14Cl2O3 |
| Authors of publication | Yang, Yanliang; Li, Yadi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 395 - 397 |
| a | 10.3048 ± 0.0006 Å |
| b | 8.962 ± 0.0005 Å |
| c | 18.0909 ± 0.001 Å |
| α | 90° |
| β | 93.046 ± 0.006° |
| γ | 90° |
| Cell volume | 1668.36 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0977 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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 |
|---|---|---|---|
| 285117 (current) | 2023-07-10 | cif/ Adding structures of 8107451 via cif-deposit CGI script. |
8107451.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.