Crystallography Open Database

Information card for entry 7159855

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Coordinates	7159855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 N3 O5
Calculated formula	C31 H29 N3 O5
Title of publication	A pyridine-N-oxide catenane for cation recognition
Authors of publication	Barlow, Sean Richard; Halcovitch, Nathan Ross; Evans, Nicholas Henley
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	14.6339 ± 0.0005 Å
b	15.1689 ± 0.0005 Å
c	16.0492 ± 0.0003 Å
α	102.718 ± 0.002°
β	111.425 ± 0.003°
γ	105.578 ± 0.003°
Cell volume	2986.6 ± 0.2 Å³
Cell temperature	139.9 ± 0.4 K
Ambient diffraction temperature	139.9 ± 0.4 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0867
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1888
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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