Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4002038
Preview
| Coordinates | 4002038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H4 F6 |
|---|---|
| Calculated formula | C12 H4 F6 |
| SMILES | Fc1c(c2c(cc(cc2F)F)F)c(cc(c1)F)F |
| Title of publication | Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area |
| Authors of publication | Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2014 |
| Journal volume | 26 |
| Journal issue | 15 |
| Pages of publication | 4589 |
| a | 13.044 ± 0.005 Å |
| b | 6.284 ± 0.003 Å |
| c | 12.147 ± 0.006 Å |
| α | 90° |
| β | 108.793 ± 0.007° |
| γ | 90° |
| Cell volume | 942.6 ± 0.7 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4002038.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4002038.cif |
| 122877 | 2014-09-06 | cif/ Updating files of 4002035, 4002036, 4002037, 4002038, 4002039 Original log message: Adding full bibliography for 4002035--4002039.cif. |
4002038.cif |
| 120790 | 2014-07-26 | cif/ Adding structures of 4002038 via cif-deposit CGI script. |
4002038.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.