Crystallography Open Database

Information card for entry 4104573

Preview

Coordinates	4104573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H178 N20 O29 S6.5
Calculated formula	C146 H178 N20 O29 S6.375
Title of publication	Nanosized Hybrid Oligoamide Foldamers: Aromatic Templates for the Folding of Multiple Aliphatic Units
Authors of publication	David Sánchez-García; Brice Kauffmann; Takahiro Kawanami; Hirotaka Ihara; Makoto Takafuji; Marie-Hélène Delville; Ivan Huc
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	8642 - 8648
a	15.5104 ± 0.0002 Å
b	21.9149 ± 0.0005 Å
c	44.8309 ± 0.0008 Å
α	90°
β	98.432 ± 0.001°
γ	90°
Cell volume	15073.7 ± 0.5 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1839
Residual factor for significantly intense reflections	0.1479
Weighted residual factors for significantly intense reflections	0.3638
Weighted residual factors for all reflections included in the refinement	0.3927
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4104573.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104573.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104573.cif
29598	2011-11-04	../uploads/cif-deposit/cod/cif Adding structures of 4104573 via cif-deposit CGI script.	4104573.cif