Crystallography Open Database

Information card for entry 7060507

Preview

Coordinates	7060507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H29 B S2
Calculated formula	C30 H29 B S2
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	7.9979 ± 0.0001 Å
b	11.7834 ± 0.0002 Å
c	13.5026 ± 0.0002 Å
α	96.215 ± 0.001°
β	93.895 ± 0.001°
γ	100.22 ± 0.001°
Cell volume	1240.02 ± 0.03 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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