Crystallography Open Database

Information card for entry 7100958

Preview

Coordinates	7100958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H116 K4 O16 S8
Calculated formula	C88 H118 K4 O16 S8
SMILES	c12c([O-])c(Sc3cc(cc(Sc4c(c(Sc5cc(cc(Sc6c([O-])c(Sc7cc(cc(Sc8c(c(Sc9cc(cc(S2)c9[O-])C(C)(C)C)cc(c8)C(C)(C)C)[O-])c7O)C(C)(C)C)cc(c6)C(C)(C)C)c5[O-])C(C)(C)C)cc(c4)C(C)(C)C)[O-])c3O)C(C)(C)C)cc(c1)C(C)(C)C.[K+].[K+].OC.OC.OC.OC.[K+].[K+].OC.OC.OC.OC
Title of publication	Potassium-Thiacalix[8]arene Assembly: Structure and Guest Sorption Profiles
Authors of publication	Fumio Hamada; Ken Endo; Yoshihiko Kondo
Journal of publication	Chemical Communications
Year of publication	2005
a	11.6201 ± 0.0009 Å
b	12.778 ± 0.002 Å
c	16.848 ± 0.002 Å
α	85.962 ± 0.003°
β	87.149 ± 0.002°
γ	89.264 ± 0.007°
Cell volume	2492.2 ± 0.5 Å³
Cell temperature	163.2 K
Number of distinct elements	5
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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