Crystallography Open Database

Information card for entry 4064486

Preview

Coordinates	4064486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 N Si2
Calculated formula	C22 H29 N Si2
SMILES	[Si]1([C@H]([C@H]([SiH](C)C)c2n(c3c(c12)cccc3)C)c1ccc(cc1)C)(C)C.[Si]1([C@@H]([C@@H]([SiH](C)C)c2n(c3c(c12)cccc3)C)c1ccc(cc1)C)(C)C
Title of publication	2-Vinylindoles As the Four-Atom Component in a Catalytic [4+1] Cycloaddition with a Silylene-Palladium Species Generated from (Aminosilyl)boronic Ester
Authors of publication	Masuda, Kohei; Ohmura, Toshimichi; Suginome, Michinori
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1322
a	14.5564 ± 0.0005 Å
b	8.1265 ± 0.0002 Å
c	19.5917 ± 0.0006 Å
α	90°
β	112.229 ± 0.001°
γ	90°
Cell volume	2145.32 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71075 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.	4064486.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064486.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064486.cif
32922	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064486 via cif-deposit CGI script.	4064486.cif