Crystallography Open Database

Information card for entry 7215737

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Structure parameters

Formula	C13 H9 F4 N2 O4
Calculated formula	C13 H9 F4 N2 O4
Title of publication	Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C–H⋯F and C–H⋯O
Authors of publication	Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	20
Pages of publication	4142
a	7.3027 ± 0.0006 Å
b	9.6227 ± 0.0007 Å
c	9.7417 ± 0.0007 Å
α	94.022 ± 0.006°
β	109.536 ± 0.007°
γ	90.479 ± 0.006°
Cell volume	643.2 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0635
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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