Crystallography Open Database

Information card for entry 7060506

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Coordinates	7060506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H58 B2 S4
Calculated formula	C57 H58 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	17.1329 ± 0.0004 Å
b	8.2168 ± 0.0002 Å
c	19.5322 ± 0.0004 Å
α	90°
β	113.342 ± 0.0013°
γ	90°
Cell volume	2524.65 ± 0.1 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0867
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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