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Information card for entry 7152083
Preview
| Coordinates | 7152083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H51 F12 I N4 O4 S2 |
|---|---|
| Calculated formula | C44 H51 F12 I N4 O4 S2 |
| SMILES | [I-].S(=O)(=O)(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc2c3cc(cc(S(=O)(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)c3[nH]c12)C(C)(C)C)C(C)(C)C.[N+](CC)(CC)(CC)CC |
| Title of publication | Sulfonamide carbazole receptors for anion recognition. |
| Authors of publication | Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 24 |
| Pages of publication | 8321 - 8327 |
| a | 18.8303 ± 0.0005 Å |
| b | 10.4962 ± 0.0003 Å |
| c | 26.058 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5150.3 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7152083.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152083.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7152083.cif |
| 31373 | 2011-12-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7152079, 7152080, 7152081, 7152082, 7152083 via cif-deposit CGI script. |
7152083.cif |
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Users of the data should acknowledge the original authors of the
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