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Information card for entry 7229606
Preview
| Coordinates | 7229606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H58 O4 S3 |
|---|---|
| Calculated formula | C44 H58 O4 S3 |
| Title of publication | Unexpected cleavage of thiacalix[4]arene sulfoxides |
| Authors of publication | Mikšátko, J.; Eigner, V.; Lhoták, P. |
| Journal of publication | RSC Advances |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 84 |
| Pages of publication | 53407 |
| a | 12.3117 ± 0.0007 Å |
| b | 20.284 ± 0.0007 Å |
| c | 18.3956 ± 0.0008 Å |
| α | 90° |
| β | 109.325 ± 0.0018° |
| γ | 90° |
| Cell volume | 4335.1 ± 0.3 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Ambient diffracton pressure | 101 kPa |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for all reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9702 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203441 (current) | 2017-11-22 | cif/ Adding structures of 7229606 via cif-deposit CGI script. |
7229606.cif |
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Users of the data should acknowledge the original authors of the
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