Crystallography Open Database

Information card for entry 1519296

1519295 << 1519296 >> 1519297

Preview

Coordinates	1519296.cif

Structure parameters

Formula	C64 H120 O28 Si8
Calculated formula	C64 H120 O28 Si8
Title of publication	octakis(4-Methoxycarbonyl)-3,3-dimethyl-n-butyl)octasilsesquioxane
Authors of publication	Hursthouse, Michael B.; Horton, Peter N.; Light, Mark E.; Yang, Y.; Taylor, P. G.; MacKinnon, I. A.; Liu, Z. and; Bassindale, A. R.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	105
a	14.3683 ± 0.0003 Å
b	18.0913 ± 0.0004 Å
c	18.3397 ± 0.0004 Å
α	106.259 ± 0.001°
β	109.92 ± 0.001°
γ	101.908 ± 0.001°
Cell volume	4055.2 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0996
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519296.cif
135646	2015-05-06	cif/ Adding structures of 1519296 via cif-deposit CGI script.	1519296.cif