Crystallography Open Database

Information card for entry 4111254

Preview

Coordinates	4111254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H110 F24 Mo2 N2 O14
Calculated formula	C79 H110 F24 Mo2 N2 O14
Title of publication	Synthesis of Oligoenes that Contain up to 15 Double Bonds from 1,6-Heptadiynes
Authors of publication	Constantin Czekelius; Jillian Hafer; Zachary J. Tonzetich; Richard R. Schrock; Ronald L. Christensen; Peter Müller
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16664 - 16675
a	10.1034 ± 0.0007 Å
b	29.987 ± 0.002 Å
c	14.974 ± 0.001 Å
α	90°
β	104.099 ± 0.002°
γ	90°
Cell volume	4400 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1112
Residual factor for significantly intense reflections	0.0983
Weighted residual factors for significantly intense reflections	0.2184
Weighted residual factors for all reflections included in the refinement	0.228
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
178883 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/12.	4111254.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111254.cif
60779	2012-06-18	cif/ Adding structures of 4111254 via cif-deposit CGI script.	4111254.cif