Crystallography Open Database

Information card for entry 4123305

Preview

Coordinates	4123305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H92 F36 N12 P6
Calculated formula	C96 H92 F35.994 N12 P5.999
Title of publication	Folding of oligoviologens induced by radical-radical interactions.
Authors of publication	Wang, Yuping; Frasconi, Marco; Liu, Wei-Guang; Liu, Zhichang; Sarjeant, Amy A.; Nassar, Majed S.; Botros, Youssry Y.; 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	2
Pages of publication	876 - 885
a	25.5439 ± 0.0008 Å
b	26.3802 ± 0.0008 Å
c	38.325 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	25825.4 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1992
Residual factor for significantly intense reflections	0.1047
Weighted residual factors for significantly intense reflections	0.3022
Weighted residual factors for all reflections included in the refinement	0.3286
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
179035 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33.	4123305.cif
130638	2015-02-04	cif/ Updating files of 4123305 Original log message: Adding full bibliography for 4123305.cif.	4123305.cif
129880	2015-01-17	cif/ Adding structures of 4123305 via cif-deposit CGI script.	4123305.cif