Crystallography Open Database

Information card for entry 4124913

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Coordinates	4124913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C200 H150 F48 N34 O32 S16 Zn4
Calculated formula	C197.5 H150 F40.25 N33 O27.75 S13.75 Zn4
Title of publication	Sequence-Dependent Guest Release Triggered by Orthogonal Chemical Signals.
Authors of publication	Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	7
Pages of publication	2342 - 2351
a	24.768 ± 0.005 Å
b	30.452 ± 0.006 Å
c	33.974 ± 0.007 Å
α	79.78 ± 0.03°
β	85.57 ± 0.03°
γ	86.58 ± 0.03°
Cell volume	25115 ± 9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1576
Residual factor for significantly intense reflections	0.1183
Weighted residual factors for significantly intense reflections	0.3162
Weighted residual factors for all reflections included in the refinement	0.344
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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