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Information card for entry 1575002
Preview
| Coordinates | 1575002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C126.89 H168.73 O18 |
|---|---|
| Calculated formula | C126.898 H168.735 O18 |
| Title of publication | Dimerization of Pillar[5]arene: Length-Adaptive Encapsulation of Long-Chain Guests |
| Authors of publication | Ohtani, Shunsuke; Nakagawa, Keigo; Akine, Shigehisa; Kato, Kenichi; Ogoshi, Tomoki |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 12.062 ± 0.005 Å |
| b | 21.595 ± 0.009 Å |
| c | 23.1024 ± 0.001 Å |
| α | 95.788 ± 0.007° |
| β | 92.174 ± 0.007° |
| γ | 99.902 ± 0.008° |
| Cell volume | 5888 ± 3 Å3 |
| Cell temperature | 143.15 K |
| Ambient diffraction temperature | 143.15 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2451 |
| Residual factor for significantly intense reflections | 0.1375 |
| Weighted residual factors for significantly intense reflections | 0.2709 |
| Weighted residual factors for all reflections included in the refinement | 0.339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300311 (current) | 2025-07-04 | cif/ Adding structures of 1575001, 1575002 via cif-deposit CGI script. |
1575002.cif |
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Users of the data should acknowledge the original authors of the
structural data.