Crystallography Open Database

Information card for entry 4112659

Preview

Coordinates	4112659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 N2 O4
Calculated formula	C16 H22.5 N2 O4
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	5.62 ± 0.001 Å
b	13.03 ± 0.002 Å
c	23.463 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1718.2 ± 0.5 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 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	0.0603
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
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.	4112659.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112659.cif
65068	2012-09-04	cif/ Adding structures of 4112659 via cif-deposit CGI script.	4112659.cif