Crystallography Open Database

Information card for entry 7100271

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Structure parameters

Formula	C62 H61 B2 F10 N3 O4
Calculated formula	C62 H61 B2 F10 N3 O4
SMILES	O1c2c3cc(cc2Cc2c(OB1c1c(F)c(F)c(F)c(F)c1F)c(cc(c2)C(C)(C)C)Cc1c2OB(Oc4c(Cc2cc(c1)C(C)(C)C)cc(cc4C3)C(C)(C)C)c1c(F)c(F)c(F)c(F)c1F)C(C)(C)C.N#CC.N#CC.N#CC
Title of publication	Synthesis of bis(bora)calix[4]arenes bearing perfluoroaryl substituents
Authors of publication	Carl Redshaw; Mark R.J. Elsegood
Journal of publication	Chemical Communications
Year of publication	2005
a	13.3771 ± 0.0004 Å
b	28.564 ± 0.0009 Å
c	15.3254 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5855.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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