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Information card for entry 1571124
Preview
| Coordinates | 1571124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H64 Cl4 O10 |
|---|---|
| Calculated formula | C56 H64 Cl4 O10 |
| Title of publication | Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran. |
| Authors of publication | Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei |
| Journal of publication | Molecules (Basel, Switzerland) |
| Year of publication | 2024 |
| Journal volume | 29 |
| Journal issue | 3 |
| Pages of publication | 719 |
| a | 14.54 ± 0.05 Å |
| b | 15.25 ± 0.05 Å |
| c | 15.42 ± 0.05 Å |
| α | 114.04 ± 0.04° |
| β | 99.38 ± 0.04° |
| γ | 112.59 ± 0.04° |
| Cell volume | 2668 ± 15 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 | 0.2078 |
| Residual factor for significantly intense reflections | 0.0908 |
| Weighted residual factors for significantly intense reflections | 0.24 |
| Weighted residual factors for all reflections included in the refinement | 0.3195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290306 (current) | 2024-03-05 | cif/ Adding structures of 1571124 via cif-deposit CGI script. |
1571124.cif |
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Users of the data should acknowledge the original authors of the
structural data.