Crystallography Open Database

Information card for entry 7111195

Preview

Coordinates	7111195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H64 N16 O16
Calculated formula	C72 H64 N16 O16
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	37.717 ± 0.003 Å
b	13.1706 ± 0.0009 Å
c	13.6264 ± 0.0009 Å
α	90°
β	92.372 ± 0.001°
γ	90°
Cell volume	6763.2 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7111195.cif
96341	2014-01-29	cif/ Adding structures of 7111194, 7111195, 7111196, 7111197 via cif-deposit CGI script.	7111195.cif