Crystallography Open Database

Information card for entry 7236696

Preview

Coordinates	7236696.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	TPE-HBT
Formula	C33 H23 N O S
Calculated formula	C33 H23 N O S
Title of publication	A novel fluorophore based on the coupling of AIE and ESIPT mechanisms and its application in biothiol imaging
Authors of publication	Chen, Qing; Jia, Chunman; Zhang, Yinfeng; Du, Wei; Wang, Yile; Huang, Yan; Yang, Qiuyun; Zhang, Qi
Journal of publication	Journal of Materials Chemistry B
Year of publication	2017
Journal volume	5
Journal issue	37
Pages of publication	7736
a	13.4121 ± 0.0018 Å
b	9.7801 ± 0.0012 Å
c	20.066 ± 0.003 Å
α	90°
β	108.949 ± 0.014°
γ	90°
Cell volume	2489.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1174
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1655
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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