Crystallography Open Database

Information card for entry 1548543

Preview

Coordinates	1548543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 N2 O4
Calculated formula	C14 H18 N2 O4
Title of publication	Exploring the role of ionic liquids to tune the polymorphic outcome of organic compounds.
Authors of publication	Zeng, Qingying; Mukherjee, Arijit; Müller, Peter; Rogers, Robin D.; Myerson, Allan S.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	6
Pages of publication	1510 - 1520
a	6.746 ± 0.003 Å
b	7.246 ± 0.003 Å
c	7.434 ± 0.003 Å
α	77.801 ± 0.007°
β	83.65 ± 0.008°
γ	88.409 ± 0.007°
Cell volume	353 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.079
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1933
Weighted residual factors for all reflections included in the refinement	0.2064
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
228734 (current)	2019-11-17	cif/ Updating files of 1548543 Original log message: Adding full bibliography for 1548543.cif.	1548543.cif
204501	2017-12-23	cif/ Adding structures of 1548543 via cif-deposit CGI script.	1548543.cif