Crystallography Open Database

Information card for entry 7160127

Preview

Coordinates	7160127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C166 H183 F12 N9 O16 P2
Calculated formula	C166 H183 F12 N9 O16 P2
Title of publication	Acid/base responsive pseudo[3]rotaxanes from amine naphthotubes and bis-pyridinium/isoquinolinium guests.
Authors of publication	Zheng, Li-Shuo; Nian, Hao; Wang, Song-Meng; Wang, Yan-Fang; Jiang, Wei; Wang, Li-Li; Yang, Liu-Pan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	39
Pages of publication	7996 - 8001
a	15.616 ± 0.0007 Å
b	22.8099 ± 0.001 Å
c	24.2217 ± 0.001 Å
α	65.842 ± 0.002°
β	74.382 ± 0.002°
γ	77.047 ± 0.002°
Cell volume	7517.4 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.107
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.2653
Weighted residual factors for all reflections included in the refinement	0.2831
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296681 (current)	2024-12-06	cif/ Updating files of 7160127 Original log message: Adding full bibliography for 7160127.cif.	7160127.cif
294352	2024-09-04	cif/ Adding structures of 7160127 via cif-deposit CGI script.	7160127.cif