Crystallography Open Database

Information card for entry 4112656

Preview

Coordinates	4112656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H31 N2 O5.5
Calculated formula	C20 H30 N2 O5.5
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	26.917 ± 0.004 Å
b	26.917 ± 0.004 Å
c	12.114 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8777 ± 2 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1189
Residual factor for significantly intense reflections	0.0897
Weighted residual factors for significantly intense reflections	0.2606
Weighted residual factors for all reflections included in the refinement	0.278
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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