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Information card for entry 7203077
Preview
| Coordinates | 7203077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N,N'-bis(3,5-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorobenzoic acid |
|---|---|
| Formula | C16 H11 F5 N O3 |
| Calculated formula | C16 H11 F5 N O3 |
| Title of publication | Aryl–perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides |
| Authors of publication | Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 868 |
| a | 6.9617 ± 0.001 Å |
| b | 8.311 ± 0.0011 Å |
| c | 13.3819 ± 0.0019 Å |
| α | 91.559 ± 0.015° |
| β | 104.416 ± 0.011° |
| γ | 92.117 ± 0.011° |
| Cell volume | 748.84 ± 0.18 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.0581 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7203077.cif |
| 180361 | 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 7/20/30. |
7203077.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203077.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203077.cif |
| 31984 | 2012-01-04 | cif/ Changing data item '_diffrn_standards_decay_% negligible' to '_diffrn_standards_decay_% 0'. |
7203077.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7203077.cif |
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Users of the data should acknowledge the original authors of the
structural data.