Crystallography Open Database

Information card for entry 7160384

Preview

Coordinates	7160384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 N2 O2
Calculated formula	C16 H18 N2 O2
Title of publication	C-H amination of enolizable and nonenolizable ketones.
Authors of publication	Holovko-Kamoshenkova, Oksana; Tošner, Zdeněk; Císařová, Ivana; Hrdina, Radim
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	12
Pages of publication	2818 - 2822
a	8.2209 ± 0.0003 Å
b	11.6407 ± 0.0004 Å
c	13.6236 ± 0.0005 Å
α	83.587 ± 0.001°
β	81.241 ± 0.001°
γ	73.437 ± 0.001°
Cell volume	1231.86 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.037
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
299136 (current)	2025-04-05	cif/ Updating files of 7160384, 7160385, 7160386 Original log message: Adding full bibliography for 7160384--7160386.cif.	7160384.cif
297797	2025-02-20	cif/ Adding structures of 7160384, 7160385, 7160386 via cif-deposit CGI script.	7160384.cif