Crystallography Open Database

Information card for entry 4134732

Preview

Coordinates	4134732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H64 F24 N6 P4
Calculated formula	C82 H64 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	7.2668 ± 0.0016 Å
b	12.68 ± 0.003 Å
c	20.209 ± 0.007 Å
α	80.52 ± 0.03°
β	84.99 ± 0.02°
γ	87.23 ± 0.02°
Cell volume	1828.6 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 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	0.2287
Residual factor for significantly intense reflections	0.1461
Weighted residual factors for significantly intense reflections	0.3218
Weighted residual factors for all reflections included in the refinement	0.3735
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4134732.cif
250854	2020-04-16	cif/ Adding structures of 4134732 via cif-deposit CGI script.	4134732.cif