Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239166
Preview
| Coordinates | 7239166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H50 O12 |
|---|---|
| Calculated formula | C45 H50 O12 |
| 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 | 10.3617 ± 0.0004 Å |
| b | 12.5519 ± 0.0007 Å |
| c | 17.8498 ± 0.0009 Å |
| α | 70.793 ± 0.005° |
| β | 86.489 ± 0.004° |
| γ | 66.809 ± 0.004° |
| Cell volume | 2008.91 ± 0.19 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1642 |
| Weighted residual factors for all reflections included in the refinement | 0.1763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244577 (current) | 2019-11-28 | cif/ Adding structures of 7239164, 7239165, 7239166 via cif-deposit CGI script. |
7239166.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.