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Information card for entry 1575001
Preview
| Coordinates | 1575001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C118H138O18(C6H14)2 |
|---|---|
| Formula | C130 H166 O18 |
| Calculated formula | C130 H166 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 | 12.587 ± 0.009 Å |
| b | 20.924 ± 0.014 Å |
| c | 22.9 ± 0.015 Å |
| α | 90° |
| β | 90.935 ± 0.01° |
| γ | 90° |
| Cell volume | 6030 ± 7 Å3 |
| Cell temperature | 143 K |
| Ambient diffraction temperature | 143 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.227 |
| Residual factor for significantly intense reflections | 0.12 |
| Weighted residual factors for significantly intense reflections | 0.231 |
| Weighted residual factors for all reflections included in the refinement | 0.2819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| 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. |
1575001.cif |
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Users of the data should acknowledge the original authors of the
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