Crystallography Open Database

Information card for entry 4334167

Preview

Coordinates	4334167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N2 O3 P
Calculated formula	C24 H27 N2 O3 P
SMILES	P(=O)(C(Cc1n(=O)cccc1)C(=O)N(CC)CC)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms
Authors of publication	Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3063 - 3083
a	10.6641 ± 0.0005 Å
b	14.2715 ± 0.0006 Å
c	16.8816 ± 0.0009 Å
α	106.043 ± 0.003°
β	99.9 ± 0.004°
γ	109.529 ± 0.004°
Cell volume	2225.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1053
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179444 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/41.	4334167.cif
99981	2014-02-04	cif/ Adding structures of 4334167 via cif-deposit CGI script.	4334167.cif