Crystallography Open Database

Information card for entry 4120381

4120380 << 4120381 >> 4120382

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Structure parameters

Formula	C112 H116 F24 N12 O10 P4
Calculated formula	C112 H116 F24 N12 O10 P4
Title of publication	Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor
Authors of publication	Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	12736 - 12746
a	10.8213 ± 0.0003 Å
b	13.5278 ± 0.0003 Å
c	21.903 ± 0.0006 Å
α	88.5705 ± 0.0013°
β	86.4287 ± 0.0012°
γ	72.7606 ± 0.0011°
Cell volume	3056.28 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.98 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1563
Weighted residual factors for all reflections included in the refinement	0.162
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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