Crystallography Open Database

Information card for entry 4111736

Preview

Coordinates	4111736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H56 Li2 N2 O2 Si2
Calculated formula	C34 H56 Li2 N2 O2 Si2
SMILES	C[Si]1(c2ccccc2)C[N]2(CCCCC2)[Li]([Si]2(C)(c3ccccc3)[Li]1([N]1(C2)CCCCC1)[O]1CCCC1)[O]1CCCC1
Title of publication	Selective Si-C Bond Cleavage as Synthetic Entry to a Functionalized Lithiosilane
Authors of publication	Carsten Strohmann; Daniel Schildbach; Dominik Auer
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	7968 - 7969
a	19.777 ± 0.004 Å
b	10.4 ± 0.002 Å
c	35.503 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	7302 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1163
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
178888 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/17.	4111736.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111736.cif
63340	2012-07-26	cif/ Adding structures of 4111736 via cif-deposit CGI script.	4111736.cif