Crystallography Open Database

Information card for entry 4133259

Preview

Coordinates	4133259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H72 N4 O11
Calculated formula	C70 H72 N4 O11
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	11.551 ± 0.0008 Å
b	16.7298 ± 0.0011 Å
c	17.9121 ± 0.0012 Å
α	90°
β	94.897 ± 0.003°
γ	90°
Cell volume	3448.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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