Crystallography Open Database

Information card for entry 7100249

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Coordinates	7100249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H36 Cl9 O15
Calculated formula	C37 H36 Cl9 O15
SMILES	O=C(c1c(c([C](c2c(c(C(=O)O)c(c(C(=O)O)c2Cl)Cl)Cl)c2c(c(C(=O)O)c(c(C(=O)O)c2Cl)Cl)Cl)c(c(C(=O)O)c1Cl)Cl)Cl)O.O(CC)CC.O(CC)CC.O(CC)CC
Title of publication	Hydrogen-bonded self-assemblies in a polychlorotriphenylmethyl radical derivative substituted with six meta-carboxylic acid groups
Authors of publication	J. Veciana; Neus Domingo; Daniel Maspoch; Nans Roques; Concepcio Rovira; Daniel Ruiz-Molina; Javier Tejada; Klaus Wurst
Journal of publication	Chemical Communications
Year of publication	2005
a	15.6488 ± 0.0008 Å
b	15.6488 ± 0.0006 Å
c	33.8402 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	7176.7 ± 0.5 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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