Crystallography Open Database

Information card for entry 1556108

Preview

Coordinates	1556108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.6 H32.8 Cl O1.3 Si2
Calculated formula	C24.6 H32.8 Cl O1.3 Si2
Title of publication	Stereoselective synthesis of beta-(chloro)vinylsilanes using a regio- and (E)-stereoselective bis-stannylation of unsymmetrically substituted butadiynes: application to the synthesis of a masked triyne.
Authors of publication	Simpkins, Simon M. E.; Kariuki, Benson M.; Aricó, Caterina S; Cox, Liam R.
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	21
Pages of publication	3971 - 3974
a	33.3269 ± 0.0011 Å
b	33.3269 ± 0.0011 Å
c	9.8038 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10888.9 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.2038
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.2114
Goodness-of-fit parameter for all reflections included in the refinement	0.932
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244972 (current)	2019-12-11	cif/ Corrected the value of the '_refine_diff_density_rms' data item in entries 1556108, 1556110, 1556114, 1556115, 1556116, 1556117, 4089334, 4350209 by removing an ASCII start of heading (SOH) symbol.	1556108.cif
243470	2019-11-26	cif/ Adding structures of 1556107, 1556108 via cif-deposit CGI script.	1556108.cif