Crystallography Open Database

Information card for entry 7115669

Preview

Coordinates	7115669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 O
Calculated formula	C60 H56 O
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	9.6111 ± 0.0013 Å
b	9.8047 ± 0.0014 Å
c	12.6063 ± 0.0015 Å
α	75.516 ± 0.008°
β	79.934 ± 0.009°
γ	88.667 ± 0.01°
Cell volume	1132.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7115669.html