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Information card for entry 7215905
Preview
| Coordinates | 7215905.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H52 Cl4 F15 N5 O3 |
|---|---|
| Calculated formula | C44 H52 Cl4 F15 N5 O3 |
| SMILES | Fc1c(c(C(=O)NCCN(CCNC(=O)c2c(F)c(F)c(F)c(F)c2F)CCNC(=O)c2c(F)c(F)c(F)c(F)c2F)c(c(c1F)F)F)F.[Cl-].[N+](CCCC)(CCCC)(CCCC)CCCC.ClC(Cl)Cl |
| Title of publication | Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft |
| Authors of publication | Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 22 |
| Pages of publication | 4796 |
| a | 14.4149 ± 0.0008 Å |
| b | 16.8287 ± 0.001 Å |
| c | 22.6106 ± 0.0012 Å |
| α | 90° |
| β | 101.373 ± 0.002° |
| γ | 90° |
| Cell volume | 5377.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1168 |
| Residual factor for significantly intense reflections | 0.0987 |
| Weighted residual factors for significantly intense reflections | 0.2871 |
| Weighted residual factors for all reflections included in the refinement | 0.3073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215905.cif |
| 180490 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/59. |
7215905.cif |
| 113851 | 2014-05-16 | cif/ Adding structures of 7215902, 7215903, 7215904, 7215905 via cif-deposit CGI script. |
7215905.cif |
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Users of the data should acknowledge the original authors of the
structural data.