Crystallography Open Database

Information card for entry 4109931

Preview

Coordinates	4109931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 O4
Calculated formula	C34 H32 O4
Title of publication	trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation
Authors of publication	Xuefeng Jiang; Shengming Ma
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	11600 - 11607
a	8.6809 ± 0.0014 Å
b	15.504 ± 0.002 Å
c	21.838 ± 0.003 Å
α	93.347 ± 0.004°
β	92.725 ± 0.004°
γ	94.441 ± 0.003°
Cell volume	2921.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2184
Residual factor for significantly intense reflections	0.09
Weighted residual factors for significantly intense reflections	0.2104
Weighted residual factors for all reflections included in the refinement	0.2722
Goodness-of-fit parameter for all reflections included in the refinement	0.867
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
178845 (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 4/10/99.	4109931.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109931.cif
58710	2012-05-30	cif/ Adding structures of 4109931 via cif-deposit CGI script.	4109931.cif