Crystallography Open Database

Information card for entry 7060508

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Coordinates	7060508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 B2 S4
Calculated formula	C54 H52 B2 S4
Title of publication	Syntheses, structures, and one- and two-photon excited fluorescence of dimesitylboryl-ended quadrupolar hybrid oligothiophenes
Authors of publication	Zhou, Senhao; Zhang, Shiqian; Li, Jinsong; Liu, Zhiqiang; Yu, Xiaoqiang
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	33
Pages of publication	15035 - 15042
a	42.4881 ± 0.0014 Å
b	15.1359 ± 0.0005 Å
c	8.0769 ± 0.0002 Å
α	90°
β	92.305 ± 0.003°
γ	90°
Cell volume	5190 ± 0.3 Å³
Cell temperature	297.15 K
Ambient diffraction temperature	297.15 K
Number of distinct elements	4
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	0.0947
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.1935
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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