Crystallography Open Database

Information card for entry 1567461

Preview

Coordinates	1567461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 N O2
Calculated formula	C19 H21 N O2
SMILES	N1=C(c2ccc(C)cc2)CC(C(O1)(O)c1ccccc1)(C)C
Title of publication	Azodioxy compounds as precursors for C-radicals and their application in thermal styrene difunctionalization
Authors of publication	Plöger, Stefanie; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Studer, Armido
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	33
Pages of publication	9749 - 9754
a	9.0815 ± 0.0002 Å
b	11.6927 ± 0.0002 Å
c	14.7988 ± 0.0003 Å
α	90°
β	102.05 ± 0.001°
γ	90°
Cell volume	1536.82 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0413
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	single crystal
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277658 (current)	2022-09-06	cif/ Updating files of 1567461 Original log message: Adding full bibliography for 1567461.cif.	1567461.cif
277195	2022-08-11	cif/ Adding structures of 1567461 via cif-deposit CGI script.	1567461.cif