Crystallography Open Database

Information card for entry 7058222

Preview

Coordinates	7058222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 N3 O3
Calculated formula	C22 H27 N3 O3
Title of publication	Chiral arylideneaminoimidazolidin-4-ones: green synthesis and isomerisation mechanism in solution
Authors of publication	Bouzayani, Nadia; Marque, Sylvain; Kacem, Yakdhane; Kraïem, Jamil; Bourdreux, Flavien; Marrot, Jérôme; Ben Hassine, Béchir
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	12
Pages of publication	4777
a	13.957 ± 0.002 Å
b	5.455 ± 0.0009 Å
c	14.7103 ± 0.0019 Å
α	90°
β	107.844 ± 0.009°
γ	90°
Cell volume	1066.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224999 (current)	2019-11-08	cif/ Updating files of 7058222 Original log message: Adding full bibliography for 7058222.cif.	7058222.cif
213970	2019-03-05	cif/ Adding structures of 7058222 via cif-deposit CGI script.	7058222.cif