Crystallography Open Database

Information card for entry 4109715

Preview

Coordinates	4109715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H50 Li2 N4
Calculated formula	C22 H50 Li2 N4
SMILES	[CH3]1[Li]2([CH3][Li]31[N]([C@H]1[C@@H](CCCC1)[N]3(C)C)(C)C)[N]([C@H]1[C@@H](CCCC1)[N]2(C)C)(C)C
Title of publication	Crystal Structures of the Chiral Diamine (R,R)-TMCDA with the Commonly Used Alkyllithium Bases Methyllithium, iso-Propyllithium, and sec-Butyllithium
Authors of publication	Carsten Strohmann; Viktoria H. Gessner
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8952 - 8953
a	8.4588 ± 0.0017 Å
b	14.389 ± 0.003 Å
c	21.438 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2609.3 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178843 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/97.	4109715.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109715.cif
58492	2012-05-28	cif/ Adding structures of 4109715 via cif-deposit CGI script.	4109715.cif