Crystallography Open Database

Information card for entry 4071170

Preview

Coordinates	4071170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H55 I Si4 Sn
Calculated formula	C31 H55 I Si4 Sn
SMILES	I[Sn]1(C(Cc2ccccc2)c2ccc(cc2)C)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
Title of publication	A Stannylene/Aryl Iodide Reagent for Allylic CH Activation and Double Bond Addition Chemistry
Authors of publication	Kavara, Ajdin; Cousineau, Kandarpa D.; Rohr, Ahleah D.; Kampf, Jeff W.; Banaszak Holl, Mark M.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1041
a	11.554 ± 0.005 Å
b	38.173 ± 0.017 Å
c	8.728 ± 0.004 Å
α	90°
β	108.207 ± 0.006°
γ	90°
Cell volume	3657 ± 3 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 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	0.0284
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
178600 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/11.	4071170.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071170.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071170.cif
43086	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071170 via cif-deposit CGI script.	4071170.cif