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Information card for entry 1508612
Preview
| Coordinates | 1508612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H41 Ag Cl3 F7 N4 O3 S |
|---|---|
| Calculated formula | C38 H41 Ag Cl3 F7 N4 O3 S |
| SMILES | [Ag]123[N]4(CC[N]1(Cc1ccc(F)cc1)CC[N]3(Cc1ccc(F)cc1)CC[N]2(Cc1ccc(F)cc1)CC4)Cc1ccc(F)cc1.S(=O)(=O)([O-])C(F)(F)F.ClC(Cl)Cl |
| Title of publication | Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution. |
| Authors of publication | Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 17 |
| Pages of publication | 4576 - 4579 |
| a | 9.8526 ± 0.0017 Å |
| b | 10.1866 ± 0.0018 Å |
| c | 21.14 ± 0.004 Å |
| α | 103.865 ± 0.003° |
| β | 96.623 ± 0.004° |
| γ | 93.972 ± 0.003° |
| Cell volume | 2035.8 ± 0.6 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0304 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508612.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508612.cif |
| 72105 | 2013-01-21 | cif/ Adding structures of 1508607, 1508608, 1508609, 1508610, 1508611, 1508612, 1508613, 1508614, 1508615 via cif-deposit CGI script. |
1508612.cif |
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Users of the data should acknowledge the original authors of the
structural data.