Crystallography Open Database

Information card for entry 4135554

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Coordinates	4135554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 N O3
Calculated formula	C14 H15 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	6.9529 ± 0.0001 Å
b	11.3947 ± 0.0001 Å
c	15.9363 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1262.57 ± 0.02 Å³
Cell temperature	294.15 K
Ambient diffraction temperature	294.15 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1223
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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