Crystallography Open Database

Information card for entry 7115666

Preview

Coordinates	7115666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H31 Cl O2
Calculated formula	C36.5 H31 Cl O2
Title of publication	Synthesis of tetraphenylethylene pillar[6]arenes and the selective fast quenching of their AIE fluorescence by TNT
Authors of publication	Jin-Hua Wang; Hai-Tao Feng; Yan-Song Zheng
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	11407
a	9.1923 ± 0.0018 Å
b	9.5033 ± 0.0019 Å
c	17.017 ± 0.003 Å
α	75.35 ± 0.03°
β	77.27 ± 0.03°
γ	84.99 ± 0.03°
Cell volume	1402.1 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1025
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1685
Weighted residual factors for all reflections included in the refinement	0.189
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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