Crystallography Open Database

Information card for entry 7053261

Preview

Coordinates	7053261.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,4-di(bis(3'-hydroxy,2'-,4'-dimethoxyphenyl)methyl)benzene dioxane solvate
Chemical name	1,4-di[bis(3'-hydroxy,2'-,4'-dimethoxyphenyl)methyl]benzene dioxane solvate
Formula	C48 H58 O16
Calculated formula	C48 H42 O16
Title of publication	Supramolecular networks of a H-shaped aromatic phenol host
Authors of publication	Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	4
Pages of publication	623
a	9.039 ± 0.004 Å
b	10.605 ± 0.004 Å
c	13.461 ± 0.006 Å
α	101.94 ± 0.007°
β	98.428 ± 0.008°
γ	112.198 ± 0.007°
Cell volume	1132.3 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1617
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1797
Weighted residual factors for all reflections included in the refinement	0.2208
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180086 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32.	7053261.cif
92970	2014-01-12	cif/ Adding structures of 7053253, 7053254, 7053255, 7053256, 7053257, 7053258, 7053259, 7053260, 7053261, 7053262, 7053263, 7053264, 7053265, 7053266, 7053267 via cif-deposit CGI script.	7053261.cif