Crystallography Open Database

Information card for entry 4349751

Preview

Coordinates	4349751.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-anilinoquinazoline derivative
Formula	C20 H21 Cl F N5 O4
Calculated formula	C20 H21 Cl F N5 O4
SMILES	Clc1cc(Nc2ncnc3cc(OC)c(OCCn4ccnc4)cc23)ccc1F.O.O
Title of publication	Luminescent cyclometallated platinum(ii) complexes: highly promising EGFR/DNA probes and dual-targeting anticancer agents
Authors of publication	Zhang, Yang; Luo, Qun; Zheng, Wei; Wang, Zhaoying; Lin, Yu; Zhang, Erlong; Lü, Shuang; Xiang, Junfeng; Zhao, Yao; Wang, Fuyi
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	2
Pages of publication	413
a	7.369 ± 0.002 Å
b	10.914 ± 0.003 Å
c	14.365 ± 0.005 Å
α	69.058 ± 0.011°
β	83.58 ± 0.015°
γ	72.354 ± 0.011°
Cell volume	1028.2 ± 0.5 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
235793 (current)	2019-11-24	cif/ Adding structures of 4349751, 4349752 via cif-deposit CGI script.	4349751.cif