Crystallography Open Database

Information card for entry 7250823

Preview

Coordinates	7250823.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	'2R,3R,E)-2-methyl-2-(4-nitrophenyl)-3,5-diphenylpent-4-enenitrile'
Formula	C24 H20 N2 O2
Calculated formula	C24 H20 N2 O2
Title of publication	Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles
Authors of publication	Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	37
Pages of publication	30915 - 30920
a	9.4802 ± 0.0005 Å
b	11.7086 ± 0.0006 Å
c	17.1437 ± 0.001 Å
α	90°
β	93.047 ± 0.005°
γ	90°
Cell volume	1900.26 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.0527
Diffraction radiation probe	x-ray
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
301946 (current)	2025-08-30	cif/ Adding structures of 7250821, 7250822, 7250823, 7250824, 7250825 via cif-deposit CGI script.	7250823.cif