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Information card for entry 1554959
Preview
| Coordinates | 1554959.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C117 H171 B4 N4 O20 |
|---|---|
| Calculated formula | C117 H171 B4 N4 O20 |
| Title of publication | Nestable Tetrakis(spiroborate) Nanocycles. |
| Authors of publication | Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 9 |
| Pages of publication | 2154 - 2157 |
| a | 42.193 ± 0.008 Å |
| b | 8.356 ± 0.0017 Å |
| c | 15.63 ± 0.003 Å |
| α | 90° |
| β | 90.76 ± 0.03° |
| γ | 90° |
| Cell volume | 5510.1 ± 1.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0714 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1964 |
| Weighted residual factors for all reflections included in the refinement | 0.1988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238239 (current) | 2019-11-24 | cif/ Adding structures of 1554959 via cif-deposit CGI script. |
1554959.cif |
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Users of the data should acknowledge the original authors of the
structural data.