Crystallography Open Database

Information card for entry 4063644

Preview

Coordinates	4063644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Co O4 P S Si
Calculated formula	C40 H42 Co O4 P S Si
Title of publication	Addition of Dissimilar Carbenes across an Unsymmetrically Substituted Alkyne: Regio- and Stereoselective Synthesis of Trisubstituted 1,3-Dienes
Authors of publication	O’Connor, Joseph M.; Chen, Ming-Chou; Holland, Ryan L.; Rheingold, Arnold L.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	3
Pages of publication	369
a	9.872 ± 0.0003 Å
b	16.338 ± 0.0004 Å
c	11.957 ± 0.0006 Å
α	90°
β	109.77 ± 0.003°
γ	90°
Cell volume	1814.86 ± 0.12 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4063644.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063644.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063644.cif
32636	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4063644, 4063645, 4063646 via cif-deposit CGI script.	4063644.cif