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Information card for entry 7200663
Preview
| Coordinates | 7200663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C68 H66 O17 |
|---|---|
| Calculated formula | C68 H66 O17 |
| SMILES | OC(=O)[C@@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1.O(CC)CC |
| Title of publication | Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square |
| Authors of publication | Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 549 |
| a | 16.249 ± 0.006 Å |
| b | 16.249 ± 0.006 Å |
| c | 22.54 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5951 ± 4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 76 |
| Hermann-Mauguin space group symbol | P 41 |
| Hall space group symbol | P 4w |
| Residual factor for all reflections | 0.1952 |
| Residual factor for significantly intense reflections | 0.1143 |
| Weighted residual factors for significantly intense reflections | 0.2863 |
| Weighted residual factors for all reflections included in the refinement | 0.3441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7200663.cif |
| 180337 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/06. |
7200663.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200663.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200663.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200663.cif |
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Users of the data should acknowledge the original authors of the
structural data.