Crystallography Open Database

Information card for entry 4028734

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Coordinates	4028734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 N2 O4
Calculated formula	C18 H23 N2 O4
Title of publication	Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application
Authors of publication	Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	10960 - 10967
a	14.8934 ± 0.0008 Å
b	11.7913 ± 0.0006 Å
c	19.2041 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3372.5 ± 0.4 Å³
Cell temperature	301.19 ± 0.1 K
Ambient diffraction temperature	301.19 ± 0.1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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