Crystallography Open Database

Information card for entry 7112158

Preview

Coordinates	7112158.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dimesitylsilanediol with 1,4-dimethoxybenzene solvate
Formula	C22 H29 O3 Si
Calculated formula	C22 H29 O3 Si
Title of publication	Supramolecular hydrogen-bonding assembly of silanediols with bifunctional heterocycles
Authors of publication	Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3738
a	8.4092 ± 0.0002 Å
b	9.022 ± 0.0002 Å
c	13.4486 ± 0.0003 Å
α	99.15°
β	97.1°
γ	93.79°
Cell volume	995.77 ± 0.04 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
138945 (current)	2015-06-09	cif/7/11/ (antanas@echidna.ibt.lt) Removing tags citting the parts of the original paper from CIFs 7112156, 7112157, 7112158, 7112159.	7112158.cif
107450	2014-03-19	cif/ Adding structures of 7112156, 7112157, 7112158, 7112159 via cif-deposit CGI script.	7112158.cif