Crystallography Open Database

Information card for entry 7062303

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Coordinates	7062303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H46 F24 O6
Calculated formula	C70 H46 F24 O6
Title of publication	Straightforward intra/intermolecular cyclization to AIE-active cyclic TPE: selectively distinguishing benzaldehyde and a temperature sensor
Authors of publication	Zhang, Mei; Lu, Liping; Yang, Guoliang; Mo, Xiaofeng; Luo, Shunyin; Irfan, Majeed; Zeng, Zhuo
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	12
Pages of publication	5915 - 5921
a	29.274 ± 0.003 Å
b	9.8162 ± 0.0008 Å
c	25.246 ± 0.002 Å
α	90°
β	122.082 ± 0.002°
γ	90°
Cell volume	6146.8 ± 1 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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