Crystallography Open Database

Information card for entry 7226754

Preview

Coordinates	7226754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 N4 O2
Calculated formula	C19 H26 N4 O2
SMILES	OC1(CCCCC1)c1cn(nn1)[C@H]([C@@H](C)NC(=O)C)c1ccccc1
Title of publication	Synthetic investigation on chirally pure Mannich derivatives of pseudophenylpropanolamine and their anticancer properties against HepG-2 cells with inhibition of JAK2/STAT3
Authors of publication	Balachandran, Chandrasekar; Chennakesava Rao, K.; Arun, Y.; Emi, N.; Yamamoto, Naoki; Inaguma, Yoko; Okamoto, Akinao; Easwaramoorthi, K.; Paramasivan Thirumalai, Perumal
Journal of publication	RSC Adv.
Year of publication	2016
a	13.3748 ± 0.0007 Å
b	15.9256 ± 0.0008 Å
c	26.3938 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	5621.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1326
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
187225 (current)	2016-10-08	cif/ Adding structures of 7226754 via cif-deposit CGI script.	7226754.cif