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Information card for entry 1570184
Preview
| Coordinates | 1570184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H12 F8 I4 |
|---|---|
| Calculated formula | C36 H12 F8 I4 |
| SMILES | c1(c(c(c(c(c1F)F)I)F)F)I.c1cc2c3c4c1ccc1ccc5ccc6ccc(cc2)c3c6c5c41.c1(c(c(c(c(c1F)F)I)F)F)I |
| Title of publication | Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures. |
| Authors of publication | Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 45 |
| Pages of publication | 13031 - 13041 |
| a | 5.7028 ± 0.0006 Å |
| b | 10.2278 ± 0.0012 Å |
| c | 14.3969 ± 0.0015 Å |
| α | 104.396 ± 0.006° |
| β | 97.493 ± 0.005° |
| γ | 95.668 ± 0.006° |
| Cell volume | 798.86 ± 0.15 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0889 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1745 |
| Weighted residual factors for all reflections included in the refinement | 0.1923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288770 (current) | 2024-01-06 | cif/ Updating files of 1570178, 1570179, 1570180, 1570181, 1570182, 1570183, 1570184, 1570185, 1570186, 1570187, 1570188 Original log message: Adding full bibliography for 1570178--1570188.cif. |
1570184.cif |
| 287095 | 2023-10-25 | cif/ Adding structures of 1570178, 1570179, 1570180, 1570181, 1570182, 1570183, 1570184, 1570185, 1570186, 1570187, 1570188 via cif-deposit CGI script. |
1570184.cif |
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Users of the data should acknowledge the original authors of the
structural data.