Crystallography Open Database

Information card for entry 7111196

Preview

Coordinates	7111196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142 H142 N30 O30 S4
Calculated formula	C141 H132.5 N30 O29 S4
Title of publication	Hydroxy-substituted oligopyridine dicarboxamide helical foldamers
Authors of publication	Huc, Ivan; Maurizot, Victor; Gornitzka, Heinz; Léger, Jean-Michel
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	6
Pages of publication	578
a	13.429 ± 0.003 Å
b	14.377 ± 0.007 Å
c	19.518 ± 0.002 Å
α	87.66 ± 0.01°
β	70.85 ± 0.01°
γ	85.94 ± 0.01°
Cell volume	3550.2 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1625
Residual factor for significantly intense reflections	0.118
Weighted residual factors for significantly intense reflections	0.313
Weighted residual factors for all reflections included in the refinement	0.3794
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180225 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/11.	7111196.cif
96341	2014-01-29	cif/ Adding structures of 7111194, 7111195, 7111196, 7111197 via cif-deposit CGI script.	7111196.cif