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Information card for entry 1569490
Preview
| Coordinates | 1569490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H24 F4 O8 |
|---|---|
| Calculated formula | C32 H24 F4 O8 |
| SMILES | Fc1c(F)c2OCc3c(COc4cc(c(OCc5c(cccc5)COc1c(F)c2F)cc4C(=O)OC)C(=O)OC)cccc3 |
| Title of publication | Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties. |
| Authors of publication | Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 31 |
| Pages of publication | 8393 - 8400 |
| a | 10.0405 ± 0.0001 Å |
| b | 11.2749 ± 0.0002 Å |
| c | 12.924 ± 0.0002 Å |
| α | 104.28 ± 0.001° |
| β | 105.195 ± 0.001° |
| γ | 98.368 ± 0.001° |
| Cell volume | 1333.29 ± 0.04 Å3 |
| Cell temperature | 172.99 ± 0.1 K |
| Ambient diffraction temperature | 172.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286068 (current) | 2023-09-05 | cif/ Updating files of 1569486, 1569487, 1569488, 1569489, 1569490, 1569491, 1569492, 1569493, 1569494, 1569495, 1569496, 1569497, 1569498, 1569499, 1569500, 1569501, 1569502, 1569503, 1569504, 1569505, 1569506 Original log message: Adding full bibliography for 1569486--1569506.cif. |
1569490.cif |
| 285160 | 2023-07-12 | cif/ Adding structures of 1569486, 1569487, 1569488, 1569489, 1569490, 1569491, 1569492, 1569493, 1569494, 1569495, 1569496, 1569497, 1569498, 1569499, 1569500, 1569501, 1569502, 1569503, 1569504, 1569505, 1569506 via cif-deposit CGI script. |
1569490.cif |
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Users of the data should acknowledge the original authors of the
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