Crystallography Open Database

Information card for entry 4100685

Preview

Coordinates	4100685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H62 N10 O19 Zn
Calculated formula	C52 H62 N10 O19 Zn
SMILES	[Zn]1234([n]5c(cccc5c5[n]2c2cc(OC(=O)c6cc(OC)c(OC)c(OC)c6)ccc2[n]5CC)c2[n]1c1cc(OC(=O)c5cc(OC)c(OC)c(OC)c5)ccc1[n+]2CC)(ON(=O)=[O]3)ON(=[O]4)=O.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
Title of publication	Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.
Authors of publication	Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	11.4075 ± 0.0009 Å
b	15.8957 ± 0.0012 Å
c	17.4287 ± 0.0012 Å
α	76.098 ± 0.008°
β	76.094 ± 0.009°
γ	71.858 ± 0.009°
Cell volume	2868 ± 0.5 Å³
Cell temperature	200 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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