Crystallography Open Database

Information card for entry 4126042

Preview

Coordinates	4126042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H103 N19 O23 S4
Calculated formula	C59.7333 H109.867 N20.2667 O24.5333 S4.26667
Title of publication	Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.
Authors of publication	Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	21
Pages of publication	7363 - 7369
a	19.623 ± 0.008 Å
b	19.612 ± 0.008 Å
c	36.77 ± 0.015 Å
α	90°
β	90°
γ	90°
Cell volume	14151 ± 10 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.1346
Residual factor for significantly intense reflections	0.1081
Weighted residual factors for significantly intense reflections	0.2749
Weighted residual factors for all reflections included in the refinement	0.303
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.41425 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
197449 (current)	2017-06-05	cif/ Updating files of 4126041, 4126042, 4126043 Original log message: Adding full bibliography for 4126041--4126043.cif.	4126042.cif
196679	2017-05-17	cif/ Adding structures of 4126042 via cif-deposit CGI script.	4126042.cif