Crystallography Open Database

Information card for entry 4124738

Preview

Coordinates	4124738.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	('delta'4)-(P4)-5
Formula	C78 H64 Ag2 F12 N8 P2
Calculated formula	C0 H0 Ag0 F12 N0 P2
Title of publication	Homochiral [2]Catenane and Bis[2]catenane from Alleno-Acetylenic Helicates - A Highly Selective Narcissistic Self-Sorting Process.
Authors of publication	Gidron, Ori; Jirásek, Michael; Trapp, Nils; Ebert, Marc-Olivier; Zhang, Xiangyang; Diederich, François
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	39
Pages of publication	12502 - 12505
a	16.7904 ± 0.0004 Å
b	28.5177 ± 0.0007 Å
c	74.7861 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	35809.3 ± 1.5 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1385
Residual factor for significantly intense reflections	0.1032
Weighted residual factors for significantly intense reflections	0.3156
Weighted residual factors for all reflections included in the refinement	0.3451
Goodness-of-fit parameter for all reflections included in the refinement	1.378
Diffraction radiation probe	x-ray
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
170010 (current)	2015-11-05	cif/ Adding structures of 4124738 via cif-deposit CGI script.	4124738.cif