Crystallography Open Database

Information card for entry 4124287

Preview

Coordinates	4124287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H117 N19
Calculated formula	C122 H117.001 N19
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	22.3679 ± 0.0012 Å
b	22.3679 ± 0.0012 Å
c	17.9046 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	7757.9 ± 0.7 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	0.0374
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	4124287.cif
153555	2015-08-21	cif/ Adding structures of 4124287 via cif-deposit CGI script.	4124287.cif