Crystallography Open Database

Information card for entry 7160123

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Coordinates	7160123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N2 O2
Calculated formula	C20 H18 N2 O2
Title of publication	Au(III)/TPPMS-catalyzed Friedel-Crafts benzylation of deactivated <i>N</i>-alkylanilines in water.
Authors of publication	Hikawa, Hidemasa; Fukuda, Akane; Kondo, Kazuma; Nakayama, Taku; Enda, Tomokatsu; Kikkawa, Shoko; Azumaya, Isao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	38
Pages of publication	7874 - 7879
a	14.4437 ± 0.0005 Å
b	5.5419 ± 0.0002 Å
c	20.4328 ± 0.0006 Å
α	90°
β	95.219 ± 0.003°
γ	90°
Cell volume	1628.77 ± 0.09 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 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	0.07
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
295345 (current)	2024-10-06	cif/ Updating files of 7160123 Original log message: Adding full bibliography for 7160123.cif.	7160123.cif
294289	2024-08-30	cif/ Adding structures of 7160123 via cif-deposit CGI script.	7160123.cif