Crystallography Open Database

Information card for entry 1577144

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Coordinates	1577144.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	LPL-Ligand
Formula	C32 H28 N8
Calculated formula	C32 H28 N8
Title of publication	White-light powered autonomous molecular ratchet drives PdII capsules out of equilibrium
Authors of publication	Pruñonosa Lara, Lidón; Bädorf, Benedikt; Notheis, Maximilian J.; Schnakenburg, Gregor; Grimme, Stefan; von Krbek, Larissa K. S.
Journal of publication	Chemical Science
Year of publication	2026
a	10.6197 ± 0.0002 Å
b	6.7073 ± 0.0001 Å
c	36.6481 ± 0.0008 Å
α	90°
β	97.015 ± 0.001°
γ	90°
Cell volume	2590.89 ± 0.08 Å³
Cell temperature	102 K
Ambient diffraction temperature	102 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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