Crystallography Open Database

Information card for entry 7051393

Preview

Coordinates	7051393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 Li N2 O
Calculated formula	C12 H19 Li N2 O
SMILES	[Li]4567[O]3([C@H]([N]1(C)CC[N]2(C)C)c8ccccc8)[Li]128[O]4([C@H]([N]1(C)CC[N]2(C)C)c4ccccc4)[Li]124[O]8([C@@H]([N]1(C)CC[N]2(C)C)c8ccccc8)[Li]123[O]45[C@@H]([N]6(C)CC[N]7(C)C)c1ccccc1.[Li]4567[O]3([C@@H]([N]1(C)CC[N]2(C)C)c8ccccc8)[Li]128[O]4([C@@H]([N]1(C)CC[N]2(C)C)c4ccccc4)[Li]124[O]8([C@H]([N]1(C)CC[N]2(C)C)c8ccccc8)[Li]123[O]45[C@H]([N]6(C)CC[N]7(C)C)c1ccccc1
Journal of publication	New Journal of Chemistry
Year of publication	1999
a	11.132 ± 0.002 Å
b	11.12 ± 0.002 Å
c	20.726 ± 0.005 Å
α	77.81 ± 0.02°
β	83.31 ± 0.02°
γ	89.95 ± 0.014°
Cell volume	2490 ± 0.9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.2173
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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