Crystallography Open Database

Information card for entry 4032000

4031999 << 4032000 >> 4032001

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Coordinates	4032000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H29 N O4
Calculated formula	C26 H29 N O4
Title of publication	γ-Selective Allylation of (E)-Alkenylzinc Iodides Prepared by Reductive Coupling of Arylacetylenes with Alkyl Iodides.
Authors of publication	Zhurkin, Fedor E.; Hu, Xile
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	13
Pages of publication	5795 - 5802
a	20.7774 ± 0.0014 Å
b	13.3315 ± 0.0005 Å
c	17.7511 ± 0.0011 Å
α	90°
β	114.656 ± 0.008°
γ	90°
Cell volume	4468.7 ± 0.5 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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