Crystallography Open Database

Information card for entry 4134806

Preview

Coordinates	4134806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H66 F6 N O8 P
Calculated formula	C75 H66 F6 N O8 P
Title of publication	Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.
Authors of publication	Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	11.5052 ± 0.0002 Å
b	26.1338 ± 0.0004 Å
c	21.4462 ± 0.0004 Å
α	90°
β	105.098 ± 0.002°
γ	90°
Cell volume	6225.74 ± 0.19 Å³
Cell temperature	169.99 ± 0.13 K
Ambient diffraction temperature	169.99 ± 0.13 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1087
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.2258
Weighted residual factors for all reflections included in the refinement	0.2416
Goodness-of-fit parameter for all reflections included in the refinement	1.631
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/4134806.html