Crystallography Open Database

Information card for entry 2241108

Preview

Structure parameters

Common name	Tetrakis(pyridin-2-yl)methane tetra<i>N</i>-oxide methanol tetrasolvate
Chemical name	Tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate
Formula	C25 H32 N4 O8
Calculated formula	C25 H32 N4 O8
SMILES	C(c1ccccn1=O)(c1ccccn1=O)(c1ccccn1=O)c1ccccn1=O.CO.CO.CO.CO
Title of publication	Crystal structure of tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate
Authors of publication	Matsumoto, Kouzou; Kawashita, Kazuaki; Kannami, Masaki; Oda, Masaji
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	10
Pages of publication	o754 - o755
a	14.4474 ± 0.0004 Å
b	14.4474 ± 0.0004 Å
c	12.2965 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2566.62 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181912 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11.	2241108.cif 2241108.hkl
158361	2015-09-26	cif/ hkl/ Adding structures of 2241108 via cif-deposit CGI script.	2241108.cif 2241108.hkl