Crystallography Open Database

Information card for entry 7231812

Preview

Coordinates	7231812.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2c
Formula	C39 H44 N2 O
Calculated formula	C39 H44 N2 O
Title of publication	Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands
Authors of publication	Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	67
Pages of publication	38346
a	10.525 ± 0.002 Å
b	12.498 ± 0.007 Å
c	13.969 ± 0.006 Å
α	69.67 ± 0.05°
β	86.47 ± 0.03°
γ	73.49 ± 0.03°
Cell volume	1650.6 ± 1.4 Å³
Cell temperature	297 K
Ambient diffraction temperature	297 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	0.1099
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1951
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211971 (current)	2018-11-15	cif/ Adding structures of 7231812, 7231813, 7231814, 7231815 via cif-deposit CGI script.	7231812.cif