Crystallography Open Database

Information card for entry 4133263

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Coordinates	4133263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H91 N7 O10
Calculated formula	C86 H91 N7 O10
Title of publication	Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.
Authors of publication	Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	41
Pages of publication	13466 - 13477
a	16.721 ± 0.007 Å
b	16.773 ± 0.008 Å
c	25.853 ± 0.015 Å
α	90°
β	100.627 ± 0.017°
γ	90°
Cell volume	7126 ± 6 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 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	0.0891
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.1919
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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