Crystallography Open Database

Information card for entry 1503379

Preview

Coordinates	1503379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.25 H30.5 Cl2.5 F2 S Si
Calculated formula	C37.25 H30.5 Cl2.5 F2 S Si
Title of publication	Synthesis and anion affinity of a bidendate sulfonium fluorosilane Lewis acid.
Authors of publication	Kim, Youngmin; Kim, Mieock; Gabbaï, François P
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	600 - 602
a	24.029 ± 0.003 Å
b	24.029 ± 0.003 Å
c	11.095 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6406.2 ± 1.6 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1503379.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503379.cif
37253	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503379 via cif-deposit CGI script.	1503379.cif