Crystallography Open Database

Information card for entry 7112928

Preview

Coordinates	7112928.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-p-Hydroxyphenyl-2,2,4-trimethylchroman carbon tetrachloride clathrate
Formula	C109 H120 Cl4 O12
Calculated formula	C109 H120 Cl4 O12
Title of publication	Templated polar order of a guest in a quasiracemic organic host.
Authors of publication	Jacobs, Tia; Bredenkamp, Martin W.; Neethling, Pieter H.; Rohwer, Erich G.; Barbour, Leonard J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	44
Pages of publication	8341 - 8343
a	26.8078 ± 0.0012 Å
b	26.8078 ± 0.0012 Å
c	10.8706 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	6765.6 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180243 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112928.cif
112168	2014-04-30	cif/ Adding structures of 7112928, 7112929, 7112930 via cif-deposit CGI script.	7112928.cif