Crystallography Open Database

Information card for entry 4134734

Preview

Coordinates	4134734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H54 F24 N6 P4
Calculated formula	C68 H54 F24 N6 P4
Title of publication	Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.
Authors of publication	Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	17
Pages of publication	7956 - 7967
a	12.0098 ± 0.0009 Å
b	34.634 ± 0.003 Å
c	39.679 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	16504 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.204
Weighted residual factors for all reflections included in the refinement	0.2162
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
251441 (current)	2020-05-04	cif/ Updating files of 4134731, 4134732, 4134733, 4134734, 4134735 Original log message: Adding full bibliography for 4134731--4134735.cif.	4134734.cif
250856	2020-04-16	cif/ Adding structures of 4134734 via cif-deposit CGI script.	4134734.cif