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Information card for entry 7233166
Preview
| Coordinates | 7233166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H53.77 Cl0.24 N2 O4 |
|---|---|
| Calculated formula | C54 H53.764 Cl0.236 N2 O4 |
| 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 | 14.5403 ± 0.0003 Å |
| b | 14.5403 ± 0.0003 Å |
| c | 36.4429 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6672.5 ± 0.2 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 5 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for all reflections | 0.1007 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1007 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9255 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217099 (current) | 2019-07-17 | cif/ Adding structures of 7233166, 7233167, 7233168 via cif-deposit CGI script. |
7233166.cif |
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Users of the data should acknowledge the original authors of the
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