Crystallography Open Database

Information card for entry 7126536

Preview

Coordinates	7126536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 N2 O
Calculated formula	C18 H18 N2 O
Title of publication	Copper-catalyzed synthesis of aminoquinolines from β-(2-aminophenyl)-α,β-ynones using DMF as dual synthon.
Authors of publication	Ganesan, Balaji; Govindan, Karthick; Senadi, Gopal Chandru; Kandasamy, Mohanraj; Lin, Wei-Yu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	48
Pages of publication	6488 - 6491
a	7.5891 ± 0.0003 Å
b	10.7774 ± 0.0005 Å
c	17.9836 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1470.89 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.051
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
253813 (current)	2020-07-06	cif/ Updating files of 7126536 Original log message: Adding full bibliography for 7126536.cif.	7126536.cif
252063	2020-05-16	cif/ Adding structures of 7126536 via cif-deposit CGI script.	7126536.cif