Crystallography Open Database

Information card for entry 4134805

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Coordinates	4134805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H60 Cl4 O8
Calculated formula	C70 H60 Cl4 O8
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	22.3783 ± 0.0002 Å
b	23.7901 ± 0.0002 Å
c	10.9436 ± 0.0001 Å
α	90°
β	100.149 ± 0.001°
γ	90°
Cell volume	5735.01 ± 0.09 Å³
Cell temperature	169.99 ± 0.14 K
Ambient diffraction temperature	169.99 ± 0.14 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1041
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.2568
Weighted residual factors for all reflections included in the refinement	0.2723
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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