Crystallography Open Database

Information card for entry 7237374

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Coordinates	7237374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 B2 N4 S3
Calculated formula	C28 H18 B2 N4 S3
Title of publication	Dual-responsive BN-embedded phenacenes featuring mechanochromic luminescence and ratiometric sensing of fluoride ions
Authors of publication	Han, Yi; Yuan, Wei; Wang, Hongyan; Li, Mengwei; Zhang, Wenqin; Chen, Yulan
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	39
Pages of publication	10456
a	7.816 ± 0.004 Å
b	12.15 ± 0.005 Å
c	12.764 ± 0.006 Å
α	91.877 ± 0.009°
β	92.37 ± 0.02°
γ	91.526 ± 0.014°
Cell volume	1210 ± 1 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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