Crystallography Open Database

Information card for entry 4135372

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Coordinates	4135372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 N3 O2
Calculated formula	C19 H23 N3 O2
Title of publication	NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.
Authors of publication	Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	48
Pages of publication	20470 - 20480
a	10.1005 ± 0.0005 Å
b	11.4816 ± 0.0006 Å
c	15.6108 ± 0.0008 Å
α	84.1313 ± 0.0017°
β	74.5085 ± 0.0015°
γ	70.8989 ± 0.0015°
Cell volume	1648.34 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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