Crystallography Open Database

Information card for entry 4134810

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Coordinates	4134810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H64 N2 O8
Calculated formula	C74 H64 N2 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	12.1031 ± 0.0002 Å
b	21.4125 ± 0.0004 Å
c	25.1008 ± 0.0004 Å
α	90°
β	100.874 ± 0.002°
γ	90°
Cell volume	6388.26 ± 0.19 Å³
Cell temperature	169.99 ± 0.13 K
Ambient diffraction temperature	169.99 ± 0.13 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	0.1555
Residual factor for significantly intense reflections	0.1396
Weighted residual factors for significantly intense reflections	0.3588
Weighted residual factors for all reflections included in the refinement	0.368
Goodness-of-fit parameter for all reflections included in the refinement	2.663
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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