Crystallography Open Database

Information card for entry 7242219

Preview

Coordinates	7242219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Cl N O2
Calculated formula	C12 H16 Cl N O2
Title of publication	A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones
Authors of publication	Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	6
Pages of publication	2336 - 2351
a	6.099 ± 0.0001 Å
b	7.7041 ± 0.0001 Å
c	25.2722 ± 0.0004 Å
α	90°
β	94.075 ± 0.002°
γ	90°
Cell volume	1184.47 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0418
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263797 (current)	2021-04-05	cif/ Updating files of 7242218, 7242219, 7242220, 7242221, 7242222, 7242223, 7242224 Original log message: Adding full bibliography for 7242218--7242224.cif.	7242219.cif
261367	2021-02-02	cif/ Adding structures of 7242218, 7242219, 7242220, 7242221, 7242222, 7242223, 7242224 via cif-deposit CGI script.	7242219.cif