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Information card for entry 4127880
Preview
Coordinates | 4127880.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 N O2 |
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Calculated formula | C19 H19 N O2 |
SMILES | OC(c1nc(OC)c2c(c1c1ccccc1)cccc2)(C)C |
Title of publication | Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV). |
Authors of publication | Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 43 |
Pages of publication | 17198 - 17206 |
a | 9.106 ± 0.0007 Å |
b | 9.2582 ± 0.0008 Å |
c | 10.3645 ± 0.0009 Å |
α | 98.353 ± 0.003° |
β | 93.614 ± 0.004° |
γ | 116.367 ± 0.002° |
Cell volume | 766.51 ± 0.11 Å3 |
Cell temperature | 99.98 K |
Ambient diffraction temperature | 99.98 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0422 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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