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Information card for entry 7239295
Preview
| Coordinates | 7239295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H54 Cl2 O18 |
|---|---|
| Calculated formula | C52 H54 Cl2 O18 |
| Title of publication | Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation |
| Authors of publication | Pan, Mingguang; Xue, Min |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 260 |
| a | 21.1413 ± 0.0007 Å |
| b | 19.5241 ± 0.0007 Å |
| c | 24.0141 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9912.2 ± 0.7 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.102 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1617 |
| Weighted residual factors for all reflections included in the refinement | 0.1858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239295.cif |
| 244640 | 2019-11-28 | cif/ Adding structures of 7239294, 7239295, 7239296, 7239297, 7239298 via cif-deposit CGI script. |
7239295.cif |
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Users of the data should acknowledge the original authors of the
structural data.