Crystallography Open Database

Information card for entry 4064512

Preview

Coordinates	4064512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H83 N4 P2 Sc
Calculated formula	C57 H83 N4 P2 Sc
Title of publication	Atom-Economical Route to Substituted Pyridines via a Scandium Imide
Authors of publication	Wicker, Benjamin F.; Scott, Jennifer; Fout, Alison R.; Pink, Maren; Mindiola, Daniel J.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	9
Pages of publication	2453
a	10.6222 ± 0.0012 Å
b	15.5318 ± 0.0018 Å
c	17.776 ± 0.002 Å
α	104.763 ± 0.003°
β	101.279 ± 0.002°
γ	95.942 ± 0.002°
Cell volume	2744.5 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation probe	x-ray
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
178539 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/45.	4064512.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064512.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064512.cif
32933	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064510, 4064511, 4064512, 4064513 via cif-deposit CGI script.	4064512.cif