Crystallography Open Database

Information card for entry 1565345

Preview

Coordinates	1565345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H96 O14
Calculated formula	C84 H96 O14
Title of publication	Adsorptive Separation of Cyclohexanol and Cyclohexanone by Nonporous Adaptive Crystals of RhombicArene
Authors of publication	Zhao, Yong-Ye; xiao, hongyan; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan
Journal of publication	Chemical Science
Year of publication	2021
a	13.7152 ± 0.0001 Å
b	15.9459 ± 0.0001 Å
c	18.6299 ± 0.0001 Å
α	90°
β	103.711 ± 0.001°
γ	90°
Cell volume	3958.28 ± 0.05 Å³
Cell temperature	170 ± 0.12 K
Ambient diffraction temperature	170 ± 0.12 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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/1565345.html