Crystallography Open Database

Information card for entry 1532462

Preview

Coordinates	1532462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 N2 O
Calculated formula	C16 H22 N2 O
SMILES	O=C1c2ccc(nc2CC(C1)(C)C)N1CCCCC1
Title of publication	A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions
Authors of publication	Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A.
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	5
Pages of publication	1410
a	14.4834 ± 0.001 Å
b	6.1063 ± 0.0005 Å
c	16.8547 ± 0.0012 Å
α	90°
β	104.786 ± 0.008°
γ	90°
Cell volume	1441.27 ± 0.19 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177626 (current)	2016-03-05	cif/ Updating files of 1532462, 1532463 Original log message: Adding full bibliography for 1532462--1532463.cif.	1532462.cif
158201	2015-09-22	cif/ Adding structures of 1532462, 1532463 via cif-deposit CGI script.	1532462.cif