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Information card for entry 7230210
Preview
| Coordinates | 7230210.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H59.33 O12.67 |
|---|---|
| Calculated formula | C41 H56 O12.6667 |
| Title of publication | A propanol-seamed C-methylcalix[4]resorcinarene hexamer accessible via solution crystallization, liquid-assisted grinding and vapour sorption |
| Authors of publication | Payne, Richard M.; Oliver, Clive L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| a | 33.6175 ± 0.0018 Å |
| b | 33.6175 ± 0.0018 Å |
| c | 20.9185 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 20473 ± 2 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 3 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.2085 |
| Residual factor for significantly intense reflections | 0.1158 |
| Weighted residual factors for significantly intense reflections | 0.3286 |
| Weighted residual factors for all reflections included in the refinement | 0.3975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206743 (current) | 2018-03-02 | cif/ Adding structures of 7230210 via cif-deposit CGI script. |
7230210.cif |
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Users of the data should acknowledge the original authors of the
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