Crystallography Open Database

Information card for entry 7135780

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Coordinates	7135780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H68
Calculated formula	C110 H68
Title of publication	Light-driven controllable <i>cis</i>-<i>trans</i> isomerization in a cycloparaphenylene dimer bridged by 9,9'-bifluorenylidene.
Authors of publication	Zhang, Dongmei; Lan, Kai; Zhang, Xiaobo; Jiang, Jiyong; Cheng, Chuyang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2026
Journal volume	62
Journal issue	29
Pages of publication	7584 - 7588
a	27.0719 ± 0.0007 Å
b	27.2412 ± 0.0007 Å
c	60.1979 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	44394 ± 2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	2
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2788
Residual factor for significantly intense reflections	0.1884
Weighted residual factors for significantly intense reflections	0.3908
Weighted residual factors for all reflections included in the refinement	0.4487
Goodness-of-fit parameter for all reflections included in the refinement	0.885
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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