Crystallography Open Database

Information card for entry 7060212

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Coordinates	7060212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 S2
Calculated formula	C18 H12 S2
Title of publication	Multichannel transport in conjugated polymers based on through-space conjugated naphthalene
Authors of publication	Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	4
Pages of publication	1795 - 1799
a	5.9263 ± 0.0001 Å
b	18.9112 ± 0.0002 Å
c	24.8642 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2786.62 ± 0.06 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1695
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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