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Information card for entry 4133815
Preview
Coordinates | 4133815.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H14 Br N |
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Calculated formula | C18 H14 Br N |
SMILES | Brc1ccc(N(c2ccccc2)c2ccccc2)cc1 |
Title of publication | Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles. |
Authors of publication | Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
a | 7.8591 ± 0.0005 Å |
b | 18.1807 ± 0.0011 Å |
c | 10.005 ± 0.0006 Å |
α | 90° |
β | 91.477 ± 0.002° |
γ | 90° |
Cell volume | 1429.08 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0293 |
Residual factor for significantly intense reflections | 0.0245 |
Weighted residual factors for significantly intense reflections | 0.0604 |
Weighted residual factors for all reflections included in the refinement | 0.0626 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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