Crystallography Open Database

Information card for entry 1517437

Preview

Coordinates	1517437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 N4 O4
Calculated formula	C24 H28 N4 O4
SMILES	O1N=C(c2ccccc2)C([C@@H]1C[N](=O)[N](=O)C[C@H]1ON=C(c2ccccc2)C1(C)C)(C)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	6.2135 ± 0.0013 Å
b	9.64 ± 0.002 Å
c	9.692 ± 0.002 Å
α	85.789 ± 0.002°
β	73.02 ± 0.003°
γ	86.307 ± 0.002°
Cell volume	553.2 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1066
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.1734
Weighted residual factors for all reflections included in the refinement	0.1795
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	1517437.cif
123152	2014-09-06	cif/ Updating files of 1517435, 1517436, 1517437, 1517438, 1517439 Original log message: Adding full bibliography for 1517435--1517439.cif.	1517437.cif
122510	2014-08-26	cif/ Adding structures of 1517437 via cif-deposit CGI script.	1517437.cif