Crystallography Open Database

Information card for entry 7053267

Preview

Coordinates	7053267.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,4-di(bis(4'-hydroxy 3',5'-dimethylphenyl)methyl)benzene toluene solvate
Chemical name	1,4-di[bis(4'-hydroxy 3',5'-dimethylphenyl)methyl]benzene toluene solvate
Formula	C47 H50 O4
Calculated formula	C47 H50 O4
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	8.7313 ± 0.0007 Å
b	10.2761 ± 0.0009 Å
c	11.4745 ± 0.001 Å
α	64.982 ± 0.001°
β	75.98 ± 0.001°
γ	86.58 ± 0.001°
Cell volume	904.07 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0945
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1881
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	7053267.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.	7053267.cif