Crystallography Open Database

Information card for entry 4034604

Preview

Coordinates	4034604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H25 Cl N2 O4
Calculated formula	C18 H25 Cl N2 O4
Title of publication	Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.
Authors of publication	Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	11
Pages of publication	7199 - 7206
a	8.8127 ± 0.0002 Å
b	12.4251 ± 0.0003 Å
c	16.7855 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1837.99 ± 0.08 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
223089 (current)	2019-11-04	cif/ Adding structures of 4034603, 4034604, 4034605, 4034606, 4034607, 4034608, 4034609, 4034610 via cif-deposit CGI script.	4034604.cif