Crystallography Open Database

Information card for entry 4135556

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Coordinates	4135556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 F N O3
Calculated formula	C19 H16 F N O3
Title of publication	Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.
Authors of publication	Zheng, Yin; Qin, Tianzhu; Zi, Weiwei
Journal of publication	Journal of the American Chemical Society
Year of publication	2021
Journal volume	143
Journal issue	2
Pages of publication	1038 - 1045
a	10.38073 ± 0.00007 Å
b	6.43018 ± 0.00005 Å
c	12.80016 ± 0.0001 Å
α	90°
β	105.967 ± 0.0007°
γ	90°
Cell volume	821.448 ± 0.011 Å³
Cell temperature	291.15 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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