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Information card for entry 7233167
Preview
| Coordinates | 7233167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H49 F3 N2 O5 |
|---|---|
| Calculated formula | C44 H49 F3 N2 O5 |
| Title of publication | Synthesis of upper rim-double-bridged calix[4]arenes bearing seven membered rings and related compounds |
| Authors of publication | Tlustý, M.; Eigner, V.; Babor, M.; Kohout, M.; Lhoták, P. |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 38 |
| Pages of publication | 22017 |
| a | 13.9434 ± 0.0006 Å |
| b | 17.188 ± 0.0008 Å |
| c | 17.1967 ± 0.0008 Å |
| α | 90° |
| β | 105.489 ± 0.0017° |
| γ | 90° |
| Cell volume | 3971.7 ± 0.3 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Ambient diffracton pressure | 101 kPa |
| Number of distinct elements | 5 |
| 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for all reflections | 0.1126 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0194 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7233167.cif |
| 217099 | 2019-07-17 | cif/ Adding structures of 7233166, 7233167, 7233168 via cif-deposit CGI script. |
7233167.cif |
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Users of the data should acknowledge the original authors of the
structural data.