Crystallography Open Database

Information card for entry 4124288

Preview

Coordinates	4124288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 F6 N4 P
Calculated formula	C36 H32 F6 N4 P
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	9.9084 ± 0.0004 Å
b	26.6982 ± 0.0009 Å
c	15.8321 ± 0.0006 Å
α	90°
β	99.632 ± 0.002°
γ	90°
Cell volume	4129.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1168
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.2626
Weighted residual factors for all reflections included in the refinement	0.2768
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	4124288.cif
153556	2015-08-21	cif/ Adding structures of 4124288 via cif-deposit CGI script.	4124288.cif