Crystallography Open Database

Information card for entry 7063966

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Coordinates	7063966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H18 F3 N S2
Calculated formula	C34 H18 F3 N S2
Title of publication	Aromatic heterocyclic π-bridge engineering for broad-color tunable and stimuli-responsive pyrene-based AIEgens
Authors of publication	Liang, Shan; Li, Jialin; Lin, Jieyu; Liu, Wei; Na, Zhenkai; Chen, Junru; Zeng, Chongyang; Feng, Xing
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	38
Pages of publication	16764 - 16772
a	6.4775 ± 0.0002 Å
b	11.0809 ± 0.0003 Å
c	18.6254 ± 0.0006 Å
α	75.642 ± 0.001°
β	82.696 ± 0.001°
γ	84.674 ± 0.001°
Cell volume	1281.98 ± 0.07 Å³
Cell temperature	199.99 K
Ambient diffraction temperature	199.99 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	0.1141
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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