Crystallography Open Database

Information card for entry 4124286

Preview

Coordinates	4124286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.67 H37 N6.33
Calculated formula	C44.6667 H37.0002 N6.33333
Title of publication	Redox Control of the Binding Modes of an Organic Receptor.
Authors of publication	Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	34
Pages of publication	11057 - 11068
a	22.2705 ± 0.0009 Å
b	22.2705 ± 0.0009 Å
c	17.9544 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	7711.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
154652 (current)	2015-09-06	cif/ Updating files of 4124286, 4124287, 4124288 Original log message: Adding full bibliography for 4124286--4124288.cif.	4124286.cif
153554	2015-08-21	cif/ Adding structures of 4124286 via cif-deposit CGI script.	4124286.cif