Crystallography Open Database

Information card for entry 4348416

Preview

Coordinates	4348416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 N3 O2
Calculated formula	C22 H21 N3 O2
SMILES	O=C(/N=C(NCc1ccccc1)\Nc1c(OC)cccc1)c1ccccc1
Title of publication	DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands
Authors of publication	Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	8
Pages of publication	780
a	9.9964 ± 0.0003 Å
b	9.9964 ± 0.0003 Å
c	16.0766 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	1391.27 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
232905 (current)	2019-11-23	cif/ Adding structures of 4348413, 4348414, 4348415, 4348416, 4348417, 4348418, 4348419 via cif-deposit CGI script.	4348416.cif