Crystallography Open Database

Information card for entry 7207525

7207524 << 7207525 >> 7207526

Preview

Coordinates	7207525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H30
Calculated formula	C44 H30
SMILES	c1cc(/C=C/c2c3c(cc4c2cccc4)cccc3)ccc1c1ccc(/C=C/c2c3c(cc4c2cccc4)cccc3)cc1
Title of publication	Intramolecular H⋯H steric hindrance modulated aggregate packing and optoelectronic properties in 1-naphthyl, 9-anthryl end-capped styrylarylene derivatives
Authors of publication	Li, Ye-Xin; Jia, Jiong; Tao, Xu-Tang
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	8
Pages of publication	2843
a	6.4897 ± 0.0014 Å
b	19.302 ± 0.005 Å
c	12.454 ± 0.002 Å
α	90°
β	99.848 ± 0.019°
γ	90°
Cell volume	1537.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2226
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1887
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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