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Information card for entry 4133094
Preview
Coordinates | 4133094.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H28 N2 O3 |
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Calculated formula | C31 H28 N2 O3 |
SMILES | O=C(NCc1cc(cc(c1)C)C(=O)c1ccccc1)NCc1cc(cc(c1)C)C(=O)c1ccccc1 |
Title of publication | Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly. |
Authors of publication | DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 40 |
Pages of publication | 13064 - 13070 |
a | 4.5113 ± 0.0003 Å |
b | 17.3791 ± 0.001 Å |
c | 15.5995 ± 0.0009 Å |
α | 90° |
β | 94.788 ± 0.003° |
γ | 90° |
Cell volume | 1218.77 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1058 |
Residual factor for significantly intense reflections | 0.0602 |
Weighted residual factors for significantly intense reflections | 0.1338 |
Weighted residual factors for all reflections included in the refinement | 0.1494 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4133094.html
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Users of the data should acknowledge the original authors of the
structural data.