Crystallography Open Database

Information card for entry 4111255

Preview

Coordinates	4111255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.5 H68 F24 Mo2 N2 O8
Calculated formula	C55.5 H68 F24 Mo2 N2 O8
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	11.0704 ± 0.0004 Å
b	27.1993 ± 0.001 Å
c	22.5569 ± 0.0009 Å
α	90°
β	90.833 ± 0.001°
γ	90°
Cell volume	6791.3 ± 0.4 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	0.0767
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111255.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111255.cif
60780	2012-06-18	cif/ Adding structures of 4111255 via cif-deposit CGI script.	4111255.cif