Crystallography Open Database

Information card for entry 7233690

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Coordinates	7233690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36
Calculated formula	C57.6 H41.94
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	11.5281 ± 0.0014 Å
b	18.237 ± 0.003 Å
c	23.459 ± 0.005 Å
α	87.113 ± 0.007°
β	81.251 ± 0.006°
γ	77.891 ± 0.005°
Cell volume	4765.3 ± 1.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.1979
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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