Crystallography Open Database

Information card for entry 4112658

Preview

Coordinates	4112658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H34 N2 O3
Calculated formula	C18 H34 N2 O3
Title of publication	Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids
Authors of publication	Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	6956 - 6966
a	10.225 ± 0.002 Å
b	11.534 ± 0.002 Å
c	18.169 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2142.8 ± 0.7 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	4
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	0.0729
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178897 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/26.	4112658.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112658.cif
65067	2012-09-04	cif/ Adding structures of 4112658 via cif-deposit CGI script.	4112658.cif