Crystallography Open Database

Information card for entry 7054199

Preview

Coordinates	7054199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H46 O4 S2 Si2
Calculated formula	C28 H46 O4 S2 Si2
Title of publication	Multigram synthesis of bis[(trimethylsilyl)ethynyl]benzenes suitable for post-polymerization modification
Authors of publication	Glöcklhofer, Florian; Lumpi, Daniel; Stöger, Berthold; Fröhlich, Johannes
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	6
Pages of publication	2229
a	10.4283 ± 0.0008 Å
b	10.1568 ± 0.0009 Å
c	16.254 ± 0.0014 Å
α	90°
β	100.454 ± 0.003°
γ	90°
Cell volume	1693 ± 0.2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for significantly intense reflections	4.53
Goodness-of-fit parameter for all reflections included in the refinement	4.02
Diffraction radiation probe	x-ray
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7054199.cif
114006	2014-05-20	cif/ Adding structures of 7054197, 7054198, 7054199 via cif-deposit CGI script.	7054199.cif