Crystallography Open Database

Information card for entry 7062302

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Coordinates	7062302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H46 F12 O6
Calculated formula	C64 H46 F12 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	13.6474 ± 0.0008 Å
b	12.6815 ± 0.0007 Å
c	15.7895 ± 0.0011 Å
α	90°
β	102.355 ± 0.002°
γ	90°
Cell volume	2669.4 ± 0.3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	4
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	0.0414
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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