Crystallography Open Database

Information card for entry 4105711

Preview

Coordinates	4105711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C498 H532 Cl34 N70 O87
Calculated formula	C498 H532 Cl34 N70 O87
Title of publication	Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers
Authors of publication	Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	3165 - 3172
a	29.831 ± 0.003 Å
b	33.225 ± 0.004 Å
c	34.49 ± 0.004 Å
α	70.125 ± 0.01°
β	80.486 ± 0.009°
γ	63.721 ± 0.01°
Cell volume	28821 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.3196
Residual factor for significantly intense reflections	0.2117
Weighted residual factors for significantly intense reflections	0.5216
Weighted residual factors for all reflections included in the refinement	0.5839
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
178803 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/57.	4105711.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105711.cif
52475	2012-04-12	../uploads/cif-deposit/cod/cif Adding structures of 4105711 via cif-deposit CGI script.	4105711.cif