Crystallography Open Database

Information card for entry 7100912

Preview

Coordinates	7100912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 O8
Calculated formula	C20 H18 O8
SMILES	C1(=O)C(=CC(=O)C=C1)OC.c1(O)ccc(cc1)O.C1(=O)C(=CC(=O)C=C1)OC
Title of publication	A Quinhydrone-Type 2:1 Acceptor-Donor Charge Transfer Complex Obtained Via a Solvent-free Reaction
Authors of publication	M. Bouvet; B. Malezieux; P. Herson
Journal of publication	Chemical Communications
Year of publication	2006
a	6.6793 ± 0.0014 Å
b	8.117 ± 0.002 Å
c	9.238 ± 0.002 Å
α	69.157 ± 0.013°
β	69.931 ± 0.019°
γ	81.34 ± 0.02°
Cell volume	439.42 ± 0.19 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	3
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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