Crystallography Open Database

Information card for entry 4131880

Preview

Coordinates	4131880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C260 H378 Cl12 N56 O71.5 S14
Calculated formula	C260 H378 Cl12 N56 O71.5 S14
Title of publication	Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper.
Authors of publication	Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	17
Pages of publication	5661 - 5665
a	18.981 ± 0.005 Å
b	25.97 ± 0.007 Å
c	21.424 ± 0.006 Å
α	90°
β	110.983 ± 0.004°
γ	90°
Cell volume	9860 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	3
Hermann-Mauguin space group symbol	P 1 2 1
Hall space group symbol	P 2y
Residual factor for all reflections	0.1665
Residual factor for significantly intense reflections	0.1308
Weighted residual factors for significantly intense reflections	0.3394
Weighted residual factors for all reflections included in the refinement	0.3905
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.44281 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241974 (current)	2019-11-25	cif/ Adding structures of 4131880 via cif-deposit CGI script.	4131880.cif