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Information card for entry 7123345
Preview
| Coordinates | 7123345.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H101 N2 O17.5 S7 Si2 |
|---|---|
| Calculated formula | C78.024 H90.072 N2 O19.133 S6.012 Si2 |
| Title of publication | Silane catecholates: Versatile tools for self-assembled dynamic covalent bond chemistry |
| Authors of publication | Kabe, Yoshio; Kawakami, Yoshiteru; Ogishima, Tsuyoshi; Kawara, Tomoki; Yamauchi, Shota; Okamoto, Kazuhiko; Nikaido, Singo; Souma, Daiki; Jin, Ren-hua |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 15.993 ± 0.007 Å |
| b | 21.486 ± 0.009 Å |
| c | 27.205 ± 0.011 Å |
| α | 90° |
| β | 107.14 ± 0.02° |
| γ | 90° |
| Cell volume | 8933 ± 7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2191 |
| Residual factor for significantly intense reflections | 0.1894 |
| Weighted residual factors for significantly intense reflections | 0.4934 |
| Weighted residual factors for all reflections included in the refinement | 0.5169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.784 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214830 (current) | 2019-04-30 | cif/ Adding structures of 7123344, 7123345, 7123346 via cif-deposit CGI script. |
7123345.cif |
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Users of the data should acknowledge the original authors of the
structural data.