Crystallography Open Database

Information card for entry 1517439

Preview

Coordinates	1517439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 N2 O2
Calculated formula	C18 H24 N2 O2
SMILES	O/N=C(\c1ccccc1)[C@@H]1N2OC[C@@H]3CCC[C@]23C(C)(C1)C.O/N=C(\c1ccccc1)[C@H]1N2OC[C@H]3CCC[C@@]23C(C)(C1)C
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	6.4874 ± 0.001 Å
b	11.048 ± 0.002 Å
c	12.397 ± 0.003 Å
α	69.31 ± 0.02°
β	77.922 ± 0.017°
γ	88.901 ± 0.014°
Cell volume	811.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71 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.	1517439.cif
123152	2014-09-06	cif/ Updating files of 1517435, 1517436, 1517437, 1517438, 1517439 Original log message: Adding full bibliography for 1517435--1517439.cif.	1517439.cif
122512	2014-08-26	cif/ Adding structures of 1517439 via cif-deposit CGI script.	1517439.cif