Crystallography Open Database

Information card for entry 4029452

Preview

Coordinates	4029452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 N2 O7
Calculated formula	C24 H38 N2 O7
Title of publication	Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.
Authors of publication	Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	11
Pages of publication	5287 - 5300
a	16.598 ± 0.006 Å
b	11.093 ± 0.004 Å
c	13.208 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2431.9 ± 1.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029452.html