Crystallography Open Database

Information card for entry 7122205

Preview

Coordinates	7122205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cl F N2 O3
Calculated formula	C24 H19 Cl F2 N2 O2
Title of publication	New amyloid beta-disaggregating agents: synthesis, pharmacological evaluation, crystal structure and molecular docking of <i>N</i>-(4-((7-chloroquinolin-4-yl)oxy)-3-ethoxybenzyl)amines.
Authors of publication	Umar, Tarana; Shalini, Shruti; Raza, Md Kausar; Gusain, Siddharth; Kumar, Jitendra; Ahmed, Waqar; Tiwari, Manisha; Hoda, Nasimul
Journal of publication	MedChemComm
Year of publication	2018
Journal volume	9
Journal issue	11
Pages of publication	1891 - 1904
a	10.474 ± 0.003 Å
b	11.271 ± 0.003 Å
c	17.518 ± 0.005 Å
α	90°
β	96.136 ± 0.009°
γ	90°
Cell volume	2056.2 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0941
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
230141 (current)	2019-11-17	cif/ Updating files of 7122205, 7122206 Original log message: Adding full bibliography for 7122205--7122206.cif.	7122205.cif
210013	2018-08-21	cif/ Adding structures of 7122205, 7122206 via cif-deposit CGI script.	7122205.cif