Crystallography Open Database

Information card for entry 4131881

Preview

Coordinates	4131881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H166 Cl7 N33 O30 S7
Calculated formula	C123 H166 Cl7 N33 O30 S7
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	17.0979 ± 0.0005 Å
b	17.0979 ± 0.0005 Å
c	28.8128 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	8423.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.1558
Residual factor for significantly intense reflections	0.1106
Weighted residual factors for significantly intense reflections	0.3013
Weighted residual factors for all reflections included in the refinement	0.3544
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241975 (current)	2019-11-25	cif/ Adding structures of 4131881 via cif-deposit CGI script.	4131881.cif