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Information card for entry 7014358
Preview
| Coordinates | 7014358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,3-alternate-thiacalix[4]-m-benzocrown-4 |
|---|---|
| Chemical name | 1,3-alternate-5,11,17,23-Tetra-tert-butyl-25,27-[1,3- bis(oxyethoxy)benzene]-2,8,14,20-tetra-thiacalix[4]arene |
| Formula | C50 H58 O6 S4 |
| Calculated formula | C50 H58 O6 S4 |
| Title of publication | Different metal-ion-induced dimeric self-assembling cavities based on thiacalix[4]benzocrown-4 isomers. |
| Authors of publication | Li, Xiong; Li, Yan; Yang, Wei-Ping; Chen, Yuan-Yin; Gong, Shu-Ling |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 2 |
| Pages of publication | 367 - 376 |
| a | 17.1148 ± 0.0007 Å |
| b | 22.5558 ± 0.0009 Å |
| c | 25.0673 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9676.9 ± 0.7 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1027 |
| Residual factor for significantly intense reflections | 0.0762 |
| Weighted residual factors for significantly intense reflections | 0.1493 |
| Weighted residual factors for all reflections included in the refinement | 0.1598 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179847 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/43. |
7014358.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014358.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014358.cif |
| 14734 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014357, 7014358, 7014359, 7014360 via cif-deposit CGI script. |
7014358.cif |
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