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Information card for entry 4128588
Preview
Coordinates | 4128588.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H45 N3 |
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Calculated formula | C35 H45 N3 |
SMILES | n1(c(nc2c1cccc2)c1ccccc1)C1N(c2c(C(C)C)cccc2C(C)C)C(CC1(CC)CC)(C)C |
Title of publication | Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores. |
Authors of publication | Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 30 |
Pages of publication | 12055 - 12063 |
a | 10.8286 ± 0.0008 Å |
b | 11.9086 ± 0.0009 Å |
c | 12.5098 ± 0.0009 Å |
α | 81.132 ± 0.002° |
β | 76.324 ± 0.002° |
γ | 66.007 ± 0.002° |
Cell volume | 1428.95 ± 0.18 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0591 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0898 |
Weighted residual factors for all reflections included in the refinement | 0.1007 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4128588.html
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Users of the data should acknowledge the original authors of the
structural data.