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Information card for entry 1570186
Preview
| Coordinates | 1570186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H12 F4 I2 |
|---|---|
| Calculated formula | C24 H12 F4 I2 |
| SMILES | c1cccc2cc3c(cc4ccccc4c3)cc12.c1(c(c(F)c(c(c1F)F)I)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 | 19.1824 ± 0.0019 Å |
| b | 5.9202 ± 0.0007 Å |
| c | 8.9814 ± 0.0009 Å |
| α | 90° |
| β | 90.617 ± 0.006° |
| γ | 90° |
| Cell volume | 1019.9 ± 0.19 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| 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 | 0.0614 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| 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. |
1570186.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. |
1570186.cif |
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Users of the data should acknowledge the original authors of the
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