Crystallography Open Database

Information card for entry 4081077

Preview

Coordinates	4081077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H124 Lu2 N14 O P4 Si4
Calculated formula	C112 H124 Lu2 N14 O P4 Si4
Title of publication	Organolutetium-Mediated Dearomatization and Functionalization of Pyrimidine Rings
Authors of publication	Johnson, Kevin R. D.; Hayes, Paul G.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4046
a	16.935 ± 0.002 Å
b	18.699 ± 0.002 Å
c	20.754 ± 0.003 Å
α	95.886 ± 0.002°
β	103.004 ± 0.002°
γ	95.355 ± 0.002°
Cell volume	6323.7 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1812
Weighted residual factors for all reflections included in the refinement	0.1988
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
178699 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/10.	4081077.cif
87987	2013-08-27	cif/ Adding structures of 4081076, 4081077 via cif-deposit CGI script.	4081077.cif