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Information card for entry 7113180
Preview
| Coordinates | 7113180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tetramethyl tetrahexyl Beta-Butylene dioxy Calix(4)Resorcinarene |
|---|---|
| Formula | C74 H100 O9 |
| Calculated formula | C74 H100 O9 |
| SMILES | O1c2c3cc4c(OCC=CCOc5c(C4CCCCCC)cc4c(OCC=CCOc6c(C4CCCCCC)cc4c(OCC=CCOc7c(C4CCCCCC)cc(c(OCC=CC1)c7C)C3CCCCCC)c6C)c5C)c2C.O(C(=O)C)CC |
| Title of publication | Synthesis of resorcin[4]arene cavitands by ring-closing metathesis |
| Authors of publication | Parulekar, Sumedh N.; Muppalla, Kirankirti; Fronczek, Frank R.; Bisht, Kirpal S. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2007 |
| Journal issue | 46 |
| Pages of publication | 4901 - 4903 |
| a | 17.333 ± 0.002 Å |
| b | 34.347 ± 0.004 Å |
| c | 23.388 ± 0.002 Å |
| α | 90° |
| β | 110.583 ± 0.006° |
| γ | 90° |
| Cell volume | 13035 ± 2 Å3 |
| Cell temperature | 115 K |
| Ambient diffraction temperature | 115 K |
| Number of distinct elements | 3 |
| 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 | 0.139 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.152 |
| Weighted residual factors for all reflections included in the refinement | 0.183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7102321 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209779 (current) | 2018-08-16 | cif/7/ Updating bibliography in entries 7102320-7102322, 7113179-7113181. Marking entries 7113179-7113181 as duplicates of entries 7102320-7102322. |
7113180.cif |
| 180245 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/31. |
7113180.cif |
| 113369 | 2014-05-12 | cif/ Adding structures of 7113179, 7113180, 7113181 via cif-deposit CGI script. |
7113180.cif |
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