Crystallography Open Database

Information card for entry 1507016

Preview

Coordinates	1507016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 Cu I N Si
Calculated formula	C12.8 H15.2 Cu0.8 I0.8 N0.8 Si0.8
SMILES	[I]([Cu]123[n]4ccccc4[Si](C)(C)[CH]1=[CH]2c1ccc(cc1)C)[Cu]12([n]4ccccc4[Si](C)(C)[CH]1=[CH]2c1ccc(cc1)C)[I]3
Title of publication	Stereoselective synthesis of multisubstituted butadienes through directed Mizoroki-Heck reaction and homocoupling reaction of vinyl(2-pyridyl)silane.
Authors of publication	Itami, Kenichiro; Ushiogi, Yousuke; Nokami, Toshiki; Ohashi, Youichi; Yoshida, Jun-ichi
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	21
Pages of publication	3695 - 3698
a	8.5498 ± 0.0005 Å
b	14.413 ± 0.001 Å
c	14.731 ± 0.002 Å
α	89.934 ± 0.004°
β	90.007 ± 0.006°
γ	82.093 ± 0.002°
Cell volume	1798 ± 0.3 Å³
Cell temperature	296.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	2.25
Diffraction radiation wavelength	0.7107 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.	1507016.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507016.cif
51613	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507016 via cif-deposit CGI script.	1507016.cif