Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7117458
Preview
| Coordinates | 7117458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,3,5-tris(4-carboxyphenyl)benzene |
|---|---|
| Formula | C27 H18 O6 |
| Calculated formula | C27 H18 O6 |
| Title of publication | High surface area and Z' in a thermally stable 8-fold polycatenated hydrogen-bonded framework. |
| Authors of publication | Zentner, Cassandra A.; Lai, Holden W. H.; Greenfield, Joshua T.; Wiscons, Ren A.; Zeller, Matthias; Campana, Charles F.; Talu, Orhan; FitzGerald, Stephen A.; Rowsell, Jesse L. C. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 58 |
| Pages of publication | 11642 - 11645 |
| a | 31.1904 ± 0.0016 Å |
| b | 31.2132 ± 0.0014 Å |
| c | 51.976 ± 0.003 Å |
| α | 72.71 ± 0.004° |
| β | 77.555 ± 0.003° |
| γ | 60.912 ± 0.003° |
| Cell volume | 42068 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1237 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.1612 |
| Weighted residual factors for all reflections included in the refinement | 0.1766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 141484 (current) | 2015-07-09 | cif/ Adding structures of 7117458, 7117459 via cif-deposit CGI script. |
7117458.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.