Crystallography Open Database

Information card for entry 1553709

Preview

Coordinates	1553709.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexakis(4-carboxy-3,5-difluorophenyl)triphenylene
Formula	C60 H24 F12 O12
Calculated formula	C60 H24 F12 O12
Title of publication	Sterically crowded hydrogen-bonded hexagonal network frameworks
Authors of publication	Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu
Journal of publication	Materials Chemistry Frontiers
Year of publication	2018
Journal volume	2
Journal issue	2
Pages of publication	338
a	12.2591 ± 0.0003 Å
b	38.9347 ± 0.0008 Å
c	18.0305 ± 0.0004 Å
α	90°
β	93.869 ± 0.002°
γ	90°
Cell volume	8586.4 ± 0.3 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1257
Residual factor for significantly intense reflections	0.1061
Weighted residual factors for significantly intense reflections	0.3522
Weighted residual factors for all reflections included in the refinement	0.3784
Goodness-of-fit parameter for all reflections included in the refinement	1.481
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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