Crystallography Open Database

Information card for entry 7160385

Preview

Coordinates	7160385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 N2 O2
Calculated formula	C8 H10 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	11.5155 ± 0.0008 Å
b	5.6145 ± 0.0003 Å
c	12.6912 ± 0.0009 Å
α	90°
β	100.496 ± 0.002°
γ	90°
Cell volume	806.8 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0426
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7160385.cif
297797	2025-02-20	cif/ Adding structures of 7160384, 7160385, 7160386 via cif-deposit CGI script.	7160385.cif