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Information card for entry 7121866
Preview
| Coordinates | 7121866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H30 Cl F2 N O10 |
|---|---|
| Calculated formula | C18 H30 Cl F2 N O10 |
| Title of publication | Unusual high-temperature reversible phase transition containing dielectric and nonlinear optical switches in host-guest supramolecular crown ether clathrates. |
| Authors of publication | Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 58 |
| Pages of publication | 8076 - 8079 |
| a | 14.558 ± 0.005 Å |
| b | 11.247 ± 0.004 Å |
| c | 14.392 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2356.5 ± 1.4 Å3 |
| Cell temperature | 203 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1599 |
| Residual factor for significantly intense reflections | 0.1402 |
| Weighted residual factors for significantly intense reflections | 0.3273 |
| Weighted residual factors for all reflections included in the refinement | 0.3392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121866.cif |
| 228114 | 2019-11-17 | cif/ Updating files of 7121866, 7121867 Original log message: Adding full bibliography for 7121866--7121867.cif. |
7121866.cif |
| 208595 | 2018-06-22 | cif/ Adding structures of 7121866, 7121867 via cif-deposit CGI script. |
7121866.cif |
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Users of the data should acknowledge the original authors of the
structural data.