Crystallography Open Database

Information card for entry 7234518

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Structure parameters

Formula	C28 H22 F2 O2
Calculated formula	C28 H22 F2 O2
SMILES	Fc1ccc(C(=C(\c2ccc(F)cc2)c2ccc(OC)cc2)\c2ccc(OC)cc2)cc1
Title of publication	A mechanistic study of AIE processes of TPE luminogens: intramolecular rotation vs. configurational isomerization
Authors of publication	Zhiyong Yang; Wei Qin; Nelson L. C. Leung; Mathieu Arseneault; Jacky W. Y. Lam; Guodong Liang; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	99 - 107
a	9.9507 ± 0.0009 Å
b	14.1404 ± 0.0014 Å
c	15.7474 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2215.8 ± 0.3 Å³
Cell temperature	173 ± 0.14 K
Ambient diffraction temperature	173 ± 0.14 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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