Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7204174
Preview
| Coordinates | 7204174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | p-tetrakis(4-nitrophenylazo)-tetrahydroxythiacalix[4]arene |
|---|---|
| Chemical name | p-tetrakis(4-nitrophenylazo)-tetrahydroxythiacalix[4]arene |
| Formula | C83 H63 N19 O12 S4 |
| Calculated formula | C83 H63 N19 O12 S4 |
| Title of publication | Synthesis, characterization and optical power limiting behaviour of phenylazo- and 4-nitrophenylazo-tetrahydroxytetrathiacalix[4]arene |
| Authors of publication | Cédric Desroches; Stéphane Parola; Francis Vocanson; Noëlle Ehlinger; Philippe Miele; Roger Lamartine; Jean Bouix; Anders Eriksson; Mikael Lindgren; Cesar Lopes |
| Journal of publication | J. Mater. Chem. |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 3014 - 3017 |
| a | 10.7076 ± 0.0005 Å |
| b | 13.6925 ± 0.0005 Å |
| c | 15.3195 ± 0.0006 Å |
| α | 65.773 ± 0.002° |
| β | 70.237 ± 0.002° |
| γ | 88.749 ± 0.002° |
| Cell volume | 1909.62 ± 0.14 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1571 |
| Residual factor for significantly intense reflections | 0.0764 |
| Weighted residual factors for significantly intense reflections | 0.1906 |
| Weighted residual factors for all reflections included in the refinement | 0.2409 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7204174.cif |
| 180372 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/41. |
7204174.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7204174.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204174.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204174.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204174.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.