Crystallography Open Database

Information card for entry 4104572

Preview

Coordinates	4104572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H86 Cl2 N14 O25
Calculated formula	C87 H86 Cl1.9 N14 O24.93
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	19.16 ± 0.004 Å
b	35.098 ± 0.007 Å
c	14.954 ± 0.003 Å
α	90°
β	108.7 ± 0.03°
γ	90°
Cell volume	9525 ± 4 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1583
Residual factor for significantly intense reflections	0.1498
Weighted residual factors for significantly intense reflections	0.4315
Weighted residual factors for all reflections included in the refinement	0.4463
Goodness-of-fit parameter for all reflections included in the refinement	1.311
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
178791 (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 4/10/45.	4104572.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104572.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104572.cif
29597	2011-11-04	../uploads/cif-deposit/cod/cif Adding structures of 4104572 via cif-deposit CGI script.	4104572.cif