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Information card for entry 7239165
Preview
| Coordinates | 7239165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H35 N3 O10 |
|---|---|
| Calculated formula | C43 H35 N3 O10 |
| Title of publication | A pillar[2]arene[3]hydroquinone which can self-assemble to form a molecular zipper in the solid state |
| Authors of publication | Pan, Mingguang; Xue, Min |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 43 |
| Pages of publication | 20287 |
| a | 12.0359 ± 0.0003 Å |
| b | 21.1081 ± 0.0005 Å |
| c | 14.8313 ± 0.0004 Å |
| α | 90° |
| β | 98.54 ± 0.003° |
| γ | 90° |
| Cell volume | 3726.19 ± 0.17 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.0714 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1618 |
| Weighted residual factors for all reflections included in the refinement | 0.1761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7239165.cif |
| 244577 | 2019-11-28 | cif/ Adding structures of 7239164, 7239165, 7239166 via cif-deposit CGI script. |
7239165.cif |
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Users of the data should acknowledge the original authors of the
structural data.