Crystallography Open Database

Information card for entry 7200923

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Structure parameters

Formula	C18 H10 F2 N2 O4
Calculated formula	C18 H10 F2 N2 O4
SMILES	C1(=C(C(=O)C(=C(C1=O)O)F)O)F.c12ccccc2nc2c(n1)cccc2
Title of publication	Proton-displacive ferroelectricity in neutral cocrystals of anilic acids with phenazine
Authors of publication	Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori
Journal of publication	Journal of Materials Chemistry
Year of publication	2009
Journal volume	19
Journal issue	25
Pages of publication	4421
a	4.0812 ± 0.0019 Å
b	8.938 ± 0.004 Å
c	11.581 ± 0.004 Å
α	73.07 ± 0.03°
β	78.91 ± 0.03°
γ	79.57 ± 0.03°
Cell volume	393.1 ± 0.3 Å³
Cell temperature	293.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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