Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239294
Preview
| Coordinates | 7239294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H64 Cl8 O18 |
|---|---|
| Calculated formula | C53 H58 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 | 19.5855 ± 0.0004 Å |
| b | 15.4343 ± 0.0003 Å |
| c | 21.1972 ± 0.0004 Å |
| α | 90° |
| β | 102.275 ± 0.0019° |
| γ | 90° |
| Cell volume | 6261.2 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.061 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1448 |
| Weighted residual factors for all reflections included in the refinement | 0.1486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244640 (current) | 2019-11-28 | cif/ Adding structures of 7239294, 7239295, 7239296, 7239297, 7239298 via cif-deposit CGI script. |
7239294.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.