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Information card for entry 7238800
Preview
| Coordinates | 7238800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H92 N12 O4 S4 |
|---|---|
| Calculated formula | C68 H92 N12 O4 S4 |
| Title of publication | Novel 1,3-alternate thiacalix[4]arenes: click synthesis, silver ion binding and self-assembly |
| Authors of publication | Zhao, Haiyang; Zhan, Junyan; Zou, Zhilong; Miao, Fajun; Chen, Hong; Zhang, Li; Cao, Xianliang; Tian, Deimei; Li, Haibing |
| Journal of publication | RSC Adv. |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 1029 |
| a | 13.9744 ± 0.0004 Å |
| b | 14.0021 ± 0.0004 Å |
| c | 19.6538 ± 0.0008 Å |
| α | 72.123 ± 0.001° |
| β | 81.273 ± 0.001° |
| γ | 79.907 ± 0.001° |
| Cell volume | 3583.6 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0827 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1702 |
| Weighted residual factors for all reflections included in the refinement | 0.1836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244362 (current) | 2019-11-28 | cif/ Adding structures of 7238800 via cif-deposit CGI script. |
7238800.cif |
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Users of the data should acknowledge the original authors of the
structural data.