Crystallography Open Database

Information card for entry 4133525

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Coordinates	4133525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 N2 O4
Calculated formula	C38 H42 N2 O4
Title of publication	Enantioselective Allylic Alkylation with 4-Alkyl-1,4-dihydro-pyridines Enabled by Photoredox/Palladium Cocatalysis.
Authors of publication	Zhang, Hong-Hao; Zhao, Jia-Jia; Yu, Shouyun
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	49
Pages of publication	16914 - 16919
a	9.6036 ± 0.0005 Å
b	47.197 ± 0.002 Å
c	7.3012 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3309.4 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.01 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	0.1524
Residual factor for significantly intense reflections	0.1359
Weighted residual factors for significantly intense reflections	0.3285
Weighted residual factors for all reflections included in the refinement	0.344
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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