Crystallography Open Database

Information card for entry 7122847

Preview

Coordinates	7122847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H96 Br4 F12 N4 O10 P2
Calculated formula	C68 H96 Br4 F12 N4 O10 P2
Title of publication	Benzobis(imidazolium) salts as templates for the self-assembly of starburst [24]pseudorotaxanes and their corresponding carbene-based classic [22]pseudorotaxanes
Authors of publication	Foster, Mathew W.; Mehl, Benjamin T.; Treadwell, Ed; Semeniuc, Radu F.; Wheeler, Kraig A.
Journal of publication	Chemical Communications
Year of publication	2019
a	10.9879 ± 0.0004 Å
b	13.5898 ± 0.0004 Å
c	13.7145 ± 0.0004 Å
α	78.086 ± 0.002°
β	79.356 ± 0.002°
γ	67.925 ± 0.002°
Cell volume	1843.89 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0515
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
213165 (current)	2019-01-17	cif/ Adding structures of 7122843, 7122844, 7122845, 7122846, 7122847, 7122848 via cif-deposit CGI script.	7122847.cif