Crystallography Open Database

Information card for entry 4104066

Preview

Coordinates	4104066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C185 H305 N37 O58 S6
Calculated formula	C185 H291 N37 O58 S6
Title of publication	Total Helical-Sense Bias of an Achiral Peptide Main Chain Induced by a Chiral Side-Chain Bridge
Authors of publication	Naoki Ousaka; Tomohiro Sato; Reiko Kuroda
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3820 - 3821
a	15.6934 ± 0.0014 Å
b	17.4648 ± 0.0014 Å
c	84.055 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	23038 ± 3 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1218
Residual factor for significantly intense reflections	0.0985
Weighted residual factors for significantly intense reflections	0.2056
Weighted residual factors for all reflections included in the refinement	0.2186
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178786 (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 4/10/40.	4104066.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104066.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104066.cif
28573	2011-10-29	../uploads/cif-deposit/cod/cif Adding structures of 4104066 via cif-deposit CGI script.	4104066.cif