Crystallography Open Database

Information card for entry 4065590

Preview

Coordinates	4065590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H38 O4 Ru
Calculated formula	C41 H38 O4 Ru
Title of publication	Formation of β-Ruthenium-Substituted Enones from Propargyl Alcohols†
Authors of publication	Casey, Charles P.; Jiao, Xiangdong; Guzei, Ilia. A.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	4829
a	10.0471 ± 0.0005 Å
b	17.474 ± 0.0008 Å
c	19.4109 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3407.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
178548 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/55.	4065590.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065590.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065590.cif
33612	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065590 via cif-deposit CGI script.	4065590.cif