Crystallography Open Database

Information card for entry 4104779

Preview

Coordinates	4104779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 F6 Mo N2 O
Calculated formula	C32 H40 F6 Mo N2 O
Title of publication	Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes
Authors of publication	Yeon-Ju Lee; 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	10652 - 10661
a	10.7606 ± 0.0018 Å
b	14.085 ± 0.002 Å
c	21.094 ± 0.004 Å
α	90.729 ± 0.002°
β	90.393 ± 0.002°
γ	95.057 ± 0.002°
Cell volume	3184.3 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0716
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178793 (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 4/10/47.	4104779.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104779.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104779.cif
29809	2011-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4104779 via cif-deposit CGI script.	4104779.cif