Crystallography Open Database

Information card for entry 4120492

4120491 << 4120492 >> 4120493

Preview

Coordinates	4120492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H72 Li4 N4 O4
Calculated formula	C52 H72 Li4 N4 O4
Title of publication	Solution structures of lithium amino alkoxides used in highly enantioselective 1,2-additions.
Authors of publication	Bruneau, Angela M.; Liou, Lara; Collum, David B.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	7
Pages of publication	2885 - 2891
a	10.6188 ± 0.0007 Å
b	21.8666 ± 0.0015 Å
c	21.4263 ± 0.0013 Å
α	90°
β	95.593 ± 0.002°
γ	90°
Cell volume	4951.4 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
178981 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/04.	4120492.cif
106524	2014-03-15	cif/ Adding structures of 4120492 via cif-deposit CGI script.	4120492.cif