Crystallography Open Database

Information card for entry 4103959

Preview

Coordinates	4103959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H59 N5 O10
Calculated formula	C34 H53 N5 O8
Title of publication	Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides
Authors of publication	Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	2917 - 2924
a	9.6382 ± 0.0007 Å
b	9.6449 ± 0.0007 Å
c	10.922 ± 0.0007 Å
α	103.46 ± 0.001°
β	100.068 ± 0.001°
γ	93.397 ± 0.001°
Cell volume	966.9 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4103959.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103959.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103959.cif
28437	2011-10-27	../uploads/cif-deposit/cod/cif Adding structures of 4103959 via cif-deposit CGI script.	4103959.cif