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Information card for entry 1562681
Preview
| Coordinates | 1562681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C222 H202 N9 O28 Pt2 |
|---|---|
| Calculated formula | C222 H202 N9 O28 Pt2 |
| Title of publication | Cyclic Monoterpenes Trapped in a Polyaromatic Capsule: Unusual Selectivity, Isomerization, and Volatility Suppression |
| Authors of publication | Sumida, Ryuki; Tanaka, Yuya; Niki, Keita; Sei, Yoshihisa; Toyota, Shinji; Yoshizawa, Michito |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 18.7348 ± 0.0005 Å |
| b | 21.8196 ± 0.0009 Å |
| c | 27.4073 ± 0.0011 Å |
| α | 93.167 ± 0.003° |
| β | 101.052 ± 0.003° |
| γ | 107.422 ± 0.003° |
| Cell volume | 10415.3 ± 0.7 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1741 |
| Residual factor for significantly intense reflections | 0.0917 |
| Weighted residual factors for significantly intense reflections | 0.2324 |
| Weighted residual factors for all reflections included in the refinement | 0.2877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265322 (current) | 2021-05-19 | cif/ Adding structures of 1562681, 1562682 via cif-deposit CGI script. |
1562681.cif |
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Users of the data should acknowledge the original authors of the
structural data.