Crystallography Open Database

Information card for entry 4021246

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Structure parameters

Formula	C52 H63 Cl2 I O4
Calculated formula	C52 H63 Cl2 I O4
SMILES	c12c(c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)C2)O)OCc1ccc(cc1)I)O)O.C(Cl)Cl
Title of publication	Multinuclear Calixarene Synthons with Covalently Linked Aryl-Palladium(II) Complexes
Authors of publication	Arjan W. Kleij; Beatriz Souto; César J. Pastor; Pilar Prados; Javier de Mendoza
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	6394 - 6403
a	25.1927 ± 0.0007 Å
b	12.5759 ± 0.0004 Å
c	30.9084 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	9792.4 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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