Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7056723
Preview
| Coordinates | 7056723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H56 O6.45 |
|---|---|
| Calculated formula | C53 H56 O6.451 |
| Title of publication | meta-Bridged Calix[4]arenes Prepared by Friedel‒Crafts Alkylation |
| Authors of publication | Slavik, Petr; Dvorakova, Hana; Eigner, Vaclav; Lhotak, Pavel |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2017 |
| a | 10.0427 ± 0.0003 Å |
| b | 11.1946 ± 0.0003 Å |
| c | 21.0233 ± 0.0004 Å |
| α | 96.2914 ± 0.0018° |
| β | 92.4769 ± 0.0018° |
| γ | 109.769 ± 0.002° |
| Cell volume | 2202.67 ± 0.1 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Ambient diffracton pressure | 101 kPa |
| 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 | 0.0611 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections | 0.1678 |
| Weighted residual factors for significantly intense reflections | 0.1589 |
| Weighted residual factors for all reflections included in the refinement | 0.1678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9371 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202539 (current) | 2017-11-03 | cif/ Adding structures of 7056723, 7056724, 7056725 via cif-deposit CGI script. |
7056723.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.