Crystallography Open Database

Information card for entry 4020809

4020808 << 4020809 >> 4020810

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Coordinates	4020809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 Cl3 O8
Calculated formula	C29 H33 Cl3 O8
SMILES	c12C(=O)OCC3(COC(c4ccc(C5(C)OCC(COC(=O)c(ccc1)c2)(CO5)C)cc4)(C)OC3)C.C(Cl)(Cl)Cl
Title of publication	Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular "Rocking Chair"
Authors of publication	Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	1337 - 1345
a	10.205 ± 0.003 Å
b	11.005 ± 0.004 Å
c	14.124 ± 0.005 Å
α	93.024 ± 0.006°
β	102.766 ± 0.006°
γ	99.552 ± 0.006°
Cell volume	1519 ± 0.8 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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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