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Information card for entry 4033238
Preview
| Coordinates | 4033238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C137 H213 N11 O27 |
|---|---|
| Calculated formula | C137 H213 N11 O27 |
| SMILES | Oc1cc(O)c2cc1C1c3c(O)cc(O)c(c3)C3c4c(O)cc(O)c(c4)C4c5c(O)cc(O)c(c5)C2CCCCCCCCCCCCC2c5c(O)cc(O)c(C(c6c(O)cc(O)c(c6)C(c6c(O)cc(O)c(C(c7c(O)cc(O)c2c7)CCCCCCCCCCCC1)c6)CCCCCCCCCCCC3)CCCCCCCCCCCC4)c5.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C |
| Title of publication | Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes. |
| Authors of publication | Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 24 |
| Pages of publication | 13220 - 13230 |
| a | 16.597 ± 0.003 Å |
| b | 42.559 ± 0.007 Å |
| c | 19.786 ± 0.003 Å |
| α | 90° |
| β | 102.717 ± 0.002° |
| γ | 90° |
| Cell volume | 13633 ± 4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1163 |
| Residual factor for significantly intense reflections | 0.078 |
| Weighted residual factors for significantly intense reflections | 0.19 |
| Weighted residual factors for all reflections included in the refinement | 0.2101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259535 (current) | 2020-12-04 | cif/4: Fixing Z values and formulae |
4033238.cif |
| 204797 | 2018-01-06 | cif/ Updating files of 4033235, 4033236, 4033237, 4033238, 4033239 Original log message: Adding full bibliography for 4033235--4033239.cif. |
4033238.cif |
| 203835 | 2017-12-01 | cif/ Adding structures of 4033235, 4033236, 4033237, 4033238, 4033239 via cif-deposit CGI script. |
4033238.cif |
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Users of the data should acknowledge the original authors of the
structural data.