Crystallography Open Database

Information card for entry 1517438

Preview

Coordinates	1517438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 N2 O2
Calculated formula	C19 H20 N2 O2
SMILES	O=N1=C(C(CC1C(=N\O)\c1ccccc1)(C)C)c1ccccc1
Title of publication	Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.
Authors of publication	Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	17
Pages of publication	4650
a	12.1536 ± 0.0004 Å
b	17.301 ± 0.0006 Å
c	7.936 ± 0.0002 Å
α	90°
β	102.907 ± 0.003°
γ	90°
Cell volume	1626.54 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0753
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517438.cif
123152	2014-09-06	cif/ Updating files of 1517435, 1517436, 1517437, 1517438, 1517439 Original log message: Adding full bibliography for 1517435--1517439.cif.	1517438.cif
122511	2014-08-26	cif/ Adding structures of 1517438 via cif-deposit CGI script.	1517438.cif