Crystallography Open Database

Information card for entry 7233691

Preview

Coordinates	7233691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H16 F4
Calculated formula	C40 H16 F4
Title of publication	Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation
Authors of publication	Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	3928 - 3935
a	16.62 ± 0.02 Å
b	3.748 ± 0.004 Å
c	19.26 ± 0.02 Å
α	90°
β	105.595 ± 0.019°
γ	90°
Cell volume	1156 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2169
Residual factor for significantly intense reflections	0.1242
Weighted residual factors for significantly intense reflections	0.3558
Weighted residual factors for all reflections included in the refinement	0.399
Goodness-of-fit parameter for all reflections included in the refinement	1.2
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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