Crystallography Open Database

Information card for entry 4348414

Preview

Coordinates	4348414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 N3 O2
Calculated formula	C23 H23 N3 O2
SMILES	O(c1ccc(NC(=N\C(=O)c2ccccc2)/NCc2ccccc2)cc1)CC
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	10.8758 ± 0.0016 Å
b	18.848 ± 0.003 Å
c	9.4682 ± 0.0014 Å
α	90°
β	92.429 ± 0.002°
γ	90°
Cell volume	1939.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
232905 (current)	2019-11-23	cif/ Adding structures of 4348413, 4348414, 4348415, 4348416, 4348417, 4348418, 4348419 via cif-deposit CGI script.	4348414.cif