Crystallography Open Database

Information card for entry 4105359

Preview

Coordinates	4105359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H82 Br2 Mo N2 O2 Si
Calculated formula	C59 H82 Br2 Mo N2 O2 Si
Title of publication	The Significance of Degenerate Processes to Enantioselective Olefin Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes
Authors of publication	Simon J. Meek; Steven J. Malcolmson; Bo Li; Richard R. Schrock; Amir H. Hoveyda
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	16407 - 16409
a	11.1036 ± 0.0009 Å
b	12.5845 ± 0.0011 Å
c	20.5049 ± 0.0017 Å
α	90°
β	100.568 ± 0.001°
γ	90°
Cell volume	2816.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0257
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
178799 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/53.	4105359.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105359.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105359.cif
30554	2011-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4105359 via cif-deposit CGI script.	4105359.cif