Crystallography Open Database

Information card for entry 7051394

Preview

Coordinates	7051394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H84 Li4 N8 O8
Calculated formula	C52 H84 Li4 N8 O8
SMILES	[Li]123[O]45[Li]67[O]8[C@@H]([N]9(CC[N](C)(C)[Li]9([O]1([Li]58[N](CCN(C)C)(C)[C@@H]4c1ccccc1OC)[C@H]([N]3(CCN(C)C)C)c1ccccc1OC)[O]2[C@@H]([N]7(CC[N]6(C)C)C)c1ccccc1OC)C)c1ccccc1OC.[Li]123[O]45[Li]67[O]8[C@H]([N]9(CC[N](C)(C)[Li]9([O]1([Li]58[N](CCN(C)C)(C)[C@H]4c1ccccc1OC)[C@@H]([N]3(CCN(C)C)C)c1ccccc1OC)[O]2[C@H]([N]7(CC[N]6(C)C)C)c1ccccc1OC)C)c1ccccc1OC
Journal of publication	New Journal of Chemistry
Year of publication	1999
a	21.795 ± 0.006 Å
b	12.828 ± 0.004 Å
c	20.754 ± 0.007 Å
α	90°
β	105.19 ± 0.02°
γ	90°
Cell volume	5599.8 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1177
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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