Crystallography Open Database

Information card for entry 4117848

Preview

Coordinates	4117848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H112 N8 O6 Zn2
Calculated formula	C92 H110 N8 O6 Zn2
Title of publication	A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation
Authors of publication	Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	6904 - 6907
a	11.9695 ± 0.0002 Å
b	12.97 ± 0.0002 Å
c	15.5683 ± 0.0003 Å
α	74.963 ± 0.001°
β	82.105 ± 0.001°
γ	67.243 ± 0.001°
Cell volume	2150.57 ± 0.07 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1678
Weighted residual factors for all reflections included in the refinement	0.1698
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178949 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/78.	4117848.cif
74974	2013-03-05	cif/ Adding structures of 4117848 via cif-deposit CGI script.	4117848.cif