Crystallography Open Database

Information card for entry 1551500

Preview

Coordinates	1551500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C384 H306 F30 Fe6 N36 O24 P5
Calculated formula	C384 F29.9994 Fe6 N36 O24 P4.9999
Title of publication	Stereoselective synthesis of a composite knot with nine crossings
Authors of publication	Liang Zhang; Alexander J. Stephens; Alina L. Nussbaumer; Jean-Francois Lemonnier; Pia Jurcek; Inigo J. Vitorica-Yrezabal; David A. Leigh
Journal of publication	Nature Chemistry
Year of publication	2018
Journal volume	10
Pages of publication	1083 - 1088
a	47.726 ± 0.005 Å
b	47.726 ± 0.005 Å
c	39.415 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	77750 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.343
Residual factor for significantly intense reflections	0.2678
Weighted residual factors for significantly intense reflections	0.5742
Weighted residual factors for all reflections included in the refinement	0.6393
Goodness-of-fit parameter for all reflections included in the refinement	2.608
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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