Crystallography Open Database

Information card for entry 1572492

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Coordinates	1572492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 N O2
Calculated formula	C20 H23 N O2
Title of publication	Ni-catalyzed enantioselective three-component reductive alkylacylation of alkenes: modular access to structurally complex α-amino ketones.
Authors of publication	Xiao, Jichao; Jia, Tingting; Chen, Shuang; Pan, Mengxiao; Li, Xingwei
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	37
Pages of publication	15489 - 15495
a	10.2015 ± 0.0005 Å
b	18.4915 ± 0.0008 Å
c	18.9255 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3570.1 ± 0.3 Å³
Cell temperature	242 K
Ambient diffraction temperature	242 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	0.0326
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295167 (current)	2024-10-06	cif/ Updating files of 1572492, 1572493 Original log message: Adding full bibliography for 1572492--1572493.cif.	1572492.cif
294380	2024-09-05	cif/ Adding structures of 1572492, 1572493 via cif-deposit CGI script.	1572492.cif