Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7204893
Preview
| Coordinates | 7204893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H157 N5 O13 |
|---|---|
| Calculated formula | C92.04 H157.09 N5.01 O13.01 |
| Title of publication | X-ray diffraction and 13C solid-state NMR studies of the solvate of tetra(C-undecyl)calix[4]resorcinarene with dimethylacetamide |
| Authors of publication | Kuzmicz, Rafal; Dobrzycki, Lukasz; Wozniak, Krzysztof; Benevelli, Francesca; Klinowski, Jacek; Kolodziejski, Waclaw |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2002 |
| Journal volume | 4 |
| Journal issue | 11 |
| Pages of publication | 2387 - 2391 |
| a | 9.773 ± 0.002 Å |
| b | 17.05 ± 0.003 Å |
| c | 27.745 ± 0.006 Å |
| α | 78.31 ± 0.03° |
| β | 89.92 ± 0.03° |
| γ | 77.1 ± 0.03° |
| Cell volume | 4408.3 ± 1.7 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1687 |
| Residual factor for significantly intense reflections | 0.1171 |
| Weighted residual factors for significantly intense reflections | 0.2888 |
| Weighted residual factors for all reflections included in the refinement | 0.3412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274640 (current) | 2022-04-22 | cif/7/20/48/ Updated bibliographic information in entry 7204893. |
7204893.cif |
| 180379 | 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 7/20/48. |
7204893.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7204893.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204893.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204893.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/. |
7204893.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.