Crystallography Open Database

Information card for entry 7217080

Preview

Coordinates	7217080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 N3 O4
Calculated formula	C25 H27 N3 O4
SMILES	O(CCC)c1ccccc1NC(=O)c1nc(ccc1)C(=O)Nc1ccccc1OCCC
Title of publication	An insight into the extraction of transition metal ions by picolinamides associated with intramolecular hydrogen bonding and rotational isomerization
Authors of publication	Li, Yan; Jia, Yiming; Wang, Zhenwen; Li, Xianghui; Feng, Wen; Deng, Pengchi; Yuan, Lihua
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	56
Pages of publication	29702
a	15.0617 ± 0.0007 Å
b	8.8547 ± 0.0006 Å
c	17.7386 ± 0.001 Å
α	90°
β	97.11 ± 0.004°
γ	90°
Cell volume	2347.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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 all reflections	0.1052
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.1992
Weighted residual factors for all reflections included in the refinement	0.2198
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180501 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/70.	7217080.cif
119841	2014-07-09	cif/ Adding structures of 7217079, 7217080 via cif-deposit CGI script.	7217080.cif