Crystallography Open Database

Information card for entry 7217079

Preview

Coordinates	7217079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 N3 O4
Calculated formula	C29 H35 N3 O4
SMILES	c1cc(C(=O)N(CC)c2ccccc2OCCC)nc(c1)C(=O)N(CC)c1ccccc1OCCC
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	14.033 ± 0.003 Å
b	38.45 ± 0.008 Å
c	10.289 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5552 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
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.	7217079.cif
119841	2014-07-09	cif/ Adding structures of 7217079, 7217080 via cif-deposit CGI script.	7217079.cif