Crystallography Open Database

Information card for entry 4114341

Preview

Coordinates	4114341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H70 Li2 N4
Calculated formula	C38 H70 Li2 N4
Title of publication	The Crystal Structures of the Chiral Alkyllithium Bases [n-BuLi.(-)-Sparteine]2 and [Et2O.(i-PrLi)2.(-)-Sparteine]
Authors of publication	Carsten Strohmann; Katja Strohfeldt; Daniel Schildbach
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	13672 - 13673
a	24.519 ± 0.006 Å
b	9.344 ± 0.002 Å
c	19.291 ± 0.005 Å
α	90 ± 0.004°
β	122.694 ± 0.003°
γ	90 ± 0.004°
Cell volume	3719.5 ± 1.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1568
Weighted residual factors for all reflections included in the refinement	0.1639
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	No
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.	4114341.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114341.cif
67638	2012-10-01	cif/ Adding structures of 4114341 via cif-deposit CGI script.	4114341.cif