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Information card for entry 7118287
Preview
| Coordinates | 7118287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H32 Br4 N2 |
|---|---|
| Calculated formula | C40 H32 Br4 N2 |
| SMILES | Brc1cc(N(Cc2ccccc2)Cc2ccccc2)cc(Br)c1c1c(Br)cc(N(Cc2ccccc2)Cc2ccccc2)cc1Br |
| Title of publication | A biphenyl containing two electron-donating and two electron-accepting moieties: a rigid and small donor-acceptor-donor ladder system. |
| Authors of publication | Greulich, Tobias W.; Suzuki, Naoya; Daniliuc, Constantin G.; Fukazawa, Aiko; Yamaguchi, Eriko; Studer, Armido; Yamaguchi, Shigehiro |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 11 |
| Pages of publication | 2374 - 2377 |
| a | 18.6729 ± 0.0002 Å |
| b | 11.0827 ± 0.0001 Å |
| c | 33.857 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7006.58 ± 0.13 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0724 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections included in the refinement | 0.0885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118287.cif |
| 175882 | 2016-02-04 | cif/ Updating files of 7118287, 7118288, 7118289, 7118290, 7118291 Original log message: Adding full bibliography for 7118287--7118291.cif. |
7118287.cif |
| 173515 | 2016-01-06 | cif/ Adding structures of 7118287, 7118288, 7118289, 7118290, 7118291 via cif-deposit CGI script. |
7118287.cif |
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Users of the data should acknowledge the original authors of the
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