Crystallography Open Database

Information card for entry 7111134

Preview

Coordinates	7111134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H41 Li N4
Calculated formula	C25 H41 Li N4
SMILES	N([C@@H](C)c1ccccc1)([Li]12[N](CC[N]2(C)C)(C)CC[N]1(C)C)[C@@H](C)c1ccccc1
Title of publication	Crystal structures of (R,R)-{[Ph(Me)CH]2NLi·pmdeta} and {[PhC(CH2)NH]Na·pmdeta}2: alkali metal amides derived from (R,R)-bis(α-methylbenzyl)amine
Authors of publication	Andrews, Philip C.; Duggan, Peter J.; Maguire, Melissa; Nichols, Peter J.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	1
Pages of publication	53
a	9.987 ± 0.002 Å
b	13.692 ± 0.003 Å
c	18.553 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2537 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1771
Residual factor for significantly intense reflections	0.0911
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
180225 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/11.	7111134.cif
96259	2014-01-29	cif/ Adding structures of 7111134, 7111135 via cif-deposit CGI script.	7111134.cif