Crystallography Open Database

Information card for entry 1501552

Preview

Coordinates	1501552.cif

Structure parameters

Formula	C32 H40 N4 O12 Sn
Calculated formula	C32 H40 N4 O12 Sn
SMILES	[Sn](c1c[nH]c(=O)cc1)(c1c[nH]c(=O)cc1)(c1c[nH]c(=O)cc1)c1c[nH]c(=O)cc1.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O
Title of publication	Tectonique Moléculaire: Stabilisation d'un polymorphe d'inclusion métastable
Authors of publication	Okba Saied; Thierry Maris; Michel Simard; Wuest,James D
Journal of publication	Journal de la Société Chimique de Tunisie
Year of publication	2009
Journal volume	11
Pages of publication	101 - 107
a	8.612 ± 0.005 Å
b	13.909 ± 0.005 Å
c	15.522 ± 0.005 Å
α	104.233 ± 0.005°
β	98.682 ± 0.005°
γ	92.148 ± 0.005°
Cell volume	1776.2 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0693
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1501552.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501552.cif
26747	2011-09-25	../uploads/cif-deposit/cod/cif Adding structures of 1501552 via cif-deposit CGI script.	1501552.cif