Crystallography Open Database

Information card for entry 7160511

Preview

Coordinates	7160511.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dimethyl (Z)-2-(1-benzamido-2-oxo-2-phenylethylidene)succinate
Formula	C21 H19 N O6
Calculated formula	C21 H19 N O6
Title of publication	Hydrogen-bonding-controlled stereospecific synthesis of <i>Z</i>-enamides.
Authors of publication	Zhang, Xiaoyu; Lu, Xiangyu; Zou, Yajun; Lang, JiaJia; Wang, Yingwei; Zhao, Gang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	20
Pages of publication	4884 - 4887
a	5.6083 ± 0.0015 Å
b	12.004 ± 0.004 Å
c	14.983 ± 0.005 Å
α	78.692 ± 0.011°
β	84.933 ± 0.01°
γ	79.177 ± 0.01°
Cell volume	970.1 ± 0.5 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 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	0.1213
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
301144 (current)	2025-07-06	cif/ Updating files of 7160511, 7160512 Original log message: Adding full bibliography for 7160511--7160512.cif.	7160511.cif
299377	2025-04-24	cif/ Adding structures of 7160511, 7160512 via cif-deposit CGI script.	7160511.cif