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Information card for entry 4516277
Preview
| Coordinates | 4516277.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H84 Br4 O4 S4 |
|---|---|
| Calculated formula | C60 H84 Br4 O4 S4 |
| Title of publication | Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems |
| Authors of publication | Yamada, Manabu; Hamada, Fumio |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 4 |
| Pages of publication | 1889 |
| a | 9.9154 ± 0.0004 Å |
| b | 15.7592 ± 0.0006 Å |
| c | 20.6523 ± 0.0008 Å |
| α | 85.7936 ± 0.0011° |
| β | 83.0114 ± 0.0011° |
| γ | 76.4902 ± 0.0011° |
| Cell volume | 3111.1 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 significantly intense reflections | 0.0382 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231218 (current) | 2019-11-22 | cif/ Adding structures of 4516271, 4516272, 4516273, 4516274, 4516275, 4516276, 4516277, 4516278 via cif-deposit CGI script. |
4516277.cif |
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Users of the data should acknowledge the original authors of the
structural data.