Crystallography Open Database

Information card for entry 7210449

Preview

Coordinates	7210449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 N3 Na O3 S
Calculated formula	C15 H20 N3 Na O3 S
SMILES	S(=O)([O-])(=NC(=O)NN1C[C@@H]2CCC[C@@H]2C1)c1ccc(cc1)C.[Na+]
Title of publication	Structural characterization and thermal and chemical stability of bioactive molecule-hydrotalcite (LDH) nanocomposites.
Authors of publication	Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Pagano, Cinzia; Perioli, Luana; Viterbo, Davide; Boccaleri, Enrico; Paul, Geo; Milanesio, Marco
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2013
Journal volume	15
Journal issue	32
Pages of publication	13418 - 13433
a	15.4283 ± 0.001 Å
b	9.8446 ± 0.0003 Å
c	12.3063 ± 0.0007 Å
α	90°
β	109.738 ± 0.007°
γ	90°
Cell volume	1759.33 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1828
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180435 (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 7/21/04.	7210449.cif
87627	2013-08-27	cif/ Adding structures of 7210448, 7210449 via cif-deposit CGI script.	7210449.cif