Crystallography Open Database

Information card for entry 4032685

Preview

Coordinates	4032685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 F2 N2
Calculated formula	C36 H24 F2 N2
Title of publication	Metal-Free Oxidative C-C Coupling of Arylamines Using a Quinone-Based Organic Oxidant.
Authors of publication	Maddala, Sudhakar; Mallick, Sudesh; Venkatakrishnan, Parthasarathy
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	17
Pages of publication	8958 - 8972
a	11.058 ± 0.003 Å
b	16.922 ± 0.005 Å
c	14.89 ± 0.003 Å
α	90°
β	100.669 ± 0.007°
γ	90°
Cell volume	2738.1 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1413
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.2772
Weighted residual factors for all reflections included in the refinement	0.3135
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
200677 (current)	2017-09-12	cif/ Updating files of 4032685 Original log message: Adding full bibliography for 4032685.cif.	4032685.cif
199860	2017-08-21	cif/ Adding structures of 4032685 via cif-deposit CGI script.	4032685.cif