Crystallography Open Database

Information card for entry 4135336

Preview

Coordinates	4135336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H71 N3 O16
Calculated formula	C53 H71 N3 O16
Title of publication	Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.
Authors of publication	Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	46
Pages of publication	19772 - 19778
a	20.2673 ± 0.0006 Å
b	12.7006 ± 0.0004 Å
c	20.9446 ± 0.0006 Å
α	90°
β	108.196 ± 0.001°
γ	90°
Cell volume	5121.7 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1792
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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