Crystallography Open Database

Information card for entry 7157510

Preview

Coordinates	7157510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H23 Cl N2 O2
Calculated formula	C14 H23 Cl N2 O2
Title of publication	Synthesis of unsymmetrical urea derivatives via one-pot sequential three-component reactions of cyclic 2-diazo-1,3-diketones, carbodiimides, and 1,2-dihaloethanes.
Authors of publication	He, Xinwei; Yang, Cheng; Wu, Yinsong; Xie, Mengqing; Li, Ruxue; Duan, Jiahui; Shang, Yongjia
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	22
Pages of publication	4178 - 4182
a	13.9531 ± 0.0013 Å
b	18.3735 ± 0.0017 Å
c	12.488 ± 0.0012 Å
α	90°
β	90.003 ± 0.003°
γ	90°
Cell volume	3201.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.104
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1678
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
253978 (current)	2020-07-06	cif/ Updating files of 7157510 Original log message: Adding full bibliography for 7157510.cif.	7157510.cif
252201	2020-05-20	cif/ Adding structures of 7157510 via cif-deposit CGI script.	7157510.cif