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Information card for entry 7056725
Preview
| Coordinates | 7056725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H70 O6 |
|---|---|
| Calculated formula | C67 H70 O6 |
| 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 | 11.4179 ± 0.0005 Å |
| b | 11.8579 ± 0.0005 Å |
| c | 23.594 ± 0.001 Å |
| α | 77.2299 ± 0.0019° |
| β | 79.1729 ± 0.0018° |
| γ | 72.4389 ± 0.0018° |
| Cell volume | 2944.9 ± 0.2 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 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 | 0.0867 |
| Residual factor for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections | 0.213 |
| Weighted residual factors for significantly intense reflections | 0.2057 |
| Weighted residual factors for all reflections included in the refinement | 0.2127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0105 |
| Diffraction radiation wavelength | 1.54178 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. |
7056725.cif |
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Users of the data should acknowledge the original authors of the
structural data.