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Information card for entry 4129305
Preview
| Coordinates | 4129305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tetrahexoxyl-C70H26 |
|---|---|
| Formula | C94 H78 O6 |
| Calculated formula | C94 H74 O6 |
| Title of publication | Aromatic saddles containing two heptagons. |
| Authors of publication | Cheung, Kwan Yin; Xu, Xiaomin; Miao, Qian |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 11 |
| Pages of publication | 3910 - 3914 |
| a | 14.1037 ± 0.0005 Å |
| b | 17.4186 ± 0.0006 Å |
| c | 17.501 ± 0.0006 Å |
| α | 75.039 ± 0.002° |
| β | 66.871 ± 0.002° |
| γ | 80.176 ± 0.002° |
| Cell volume | 3808.2 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1595 |
| Residual factor for significantly intense reflections | 0.1161 |
| Weighted residual factors for significantly intense reflections | 0.3338 |
| Weighted residual factors for all reflections included in the refinement | 0.3762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.439 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240050 (current) | 2019-11-25 | cif/ Adding structures of 4129305 via cif-deposit CGI script. |
4129305.cif |
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Users of the data should acknowledge the original authors of the
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