Crystallography Open Database

Information card for entry 7100898

Preview

Coordinates	7100898.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Salentripod
Formula	C70 H89 N3 O6
Calculated formula	C70 H86 N3 O6
SMILES	Oc1c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(cc(c2O)C(c2c(O)c(cc(c2)C)C(C)(C)C)c2c(O)c(cc(c2)C)C(C)(C)C)C)cc(cc1C(c1c(O)c(cc(c1)C)C(C)(C)C)c1c(O)c(cc(c1)C)C(C)(C)C)C.N#CC.Oc1c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(cc(c2O)C(c2c(O)c(cc(c2)C)C(C)(C)C)c2c(O)c(cc(c2)C)C(C)(C)C)C)cc(cc1C(c1c(O)c(cc(c1)C)C(C)(C)C)c1c(O)c(cc(c1)C)C(C)(C)C)C.N#CC
Title of publication	Metal salen complexes incorporating triphenoxymethanes: Efficient, size selective anion binding by phenolic donors with a visual report
Authors of publication	Michael Scott; Eric R. Libra
Journal of publication	Chemical Communications
Year of publication	2006
a	13.8245 ± 0.0012 Å
b	14.1393 ± 0.0012 Å
c	17.9268 ± 0.0015 Å
α	70.554 ± 0.002°
β	89.38 ± 0.002°
γ	71.177 ± 0.002°
Cell volume	3109.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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