Crystallography Open Database

Information card for entry 4134731

Preview

Coordinates	4134731.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	10.3835 ± 0.0007 Å
b	11.9083 ± 0.0008 Å
c	13.5373 ± 0.001 Å
α	80.634 ± 0.004°
β	88.346 ± 0.004°
γ	76.95 ± 0.004°
Cell volume	1608.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4134731.cif
250853	2020-04-16	cif/ Adding structures of 4134731 via cif-deposit CGI script.	4134731.cif