Crystallography Open Database

Information card for entry 4064510

Preview

Coordinates	4064510.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	11.6728 ± 0.0007 Å
b	15.4693 ± 0.0008 Å
c	30.9914 ± 0.0017 Å
α	90°
β	95.427 ± 0.001°
γ	90°
Cell volume	5571 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0622
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4064510.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064510.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064510.cif
32933	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064510, 4064511, 4064512, 4064513 via cif-deposit CGI script.	4064510.cif