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Information card for entry 4027800
Preview
| Coordinates | 4027800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H64 O11 |
|---|---|
| Calculated formula | C52 H60 O11 |
| Title of publication | Clickable Di- and Tetrafunctionalized Pillar[n]arenes (n= 5, 6) by Oxidation-Reduction of Pillar[n]arene Units |
| Authors of publication | Tomoki Ogoshi; Daiki Yamafuji; Daisuke Kotera; Takamichi Aoki; Shuhei Fujinami; Tada-aki Yamagishi |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2012 |
| Journal volume | 77 |
| Pages of publication | 11146 - 11152 |
| a | 13.658 ± 0.002 Å |
| b | 17.73 ± 0.002 Å |
| c | 20.921 ± 0.002 Å |
| α | 90° |
| β | 94.411 ± 0.003° |
| γ | 90° |
| Cell volume | 5051.1 ± 1.1 Å3 |
| Cell temperature | 123.2 K |
| Ambient diffraction temperature | 123.2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.798 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4027800.cif |
| 81886 | 2013-04-17 | cif/ Adding structures of 4027800 via cif-deposit CGI script. |
4027800.cif |
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Users of the data should acknowledge the original authors of the
structural data.