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

Version history

Revision	Date	Message	Files
178473 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/94.	4029452.cif
119210	2014-07-05	cif/ Updating files of 4029450, 4029451, 4029452, 4029453, 4029454, 4029455 Original log message: Adding full bibliography for 4029450--4029455.cif.	4029452.cif
113901	2014-05-17	cif/ Adding structures of 4029450, 4029451, 4029452, 4029453, 4029454, 4029455 via cif-deposit CGI script.	4029452.cif