Crystallography Open Database

Information card for entry 7215736

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Coordinates	7215736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H30 F12 N6 O12
Calculated formula	C48 H29 F12 N6 O12
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	28.889 ± 0.002 Å
b	9.7001 ± 0.0008 Å
c	19.7288 ± 0.0016 Å
α	90°
β	129.198 ± 0.001°
γ	90°
Cell volume	4284.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1658
Weighted residual factors for all reflections included in the refinement	0.1912
Goodness-of-fit parameter for all reflections included in the refinement	0.909
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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