Crystallography Open Database

Information card for entry 7057832

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Coordinates	7057832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 Br4 N4 S4
Calculated formula	C48 H60 Br4 N4 S4
Title of publication	Adjusting the energy levels and bandgaps of conjugated polymers via Lewis acid‒base reactions
Authors of publication	Li, Yongchun; Meng, Huifeng; Li, Yuqing; Pang, Bo; Luo, Genggeng; Huang, Jianhua
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	23
Pages of publication	18961
a	40.075 ± 0.004 Å
b	11.2313 ± 0.0007 Å
c	25.162 ± 0.003 Å
α	90°
β	116.78 ± 0.007°
γ	90°
Cell volume	10110.6 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1422
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	0.885
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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