Crystallography Open Database

Information card for entry 1552937

Preview

Coordinates	1552937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H57 N8 O13
Calculated formula	C44 H57 N8 O13
Title of publication	Accelerated charge transfer in water-layered peptide assemblies.
Authors of publication	Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud
Journal of publication	Energy & environmental science
Year of publication	2020
Journal volume	13
Journal issue	1
Pages of publication	96 - 101
a	21.2 ± 0.004 Å
b	5.9359 ± 0.0009 Å
c	17.737 ± 0.003 Å
α	90°
β	90.692 ± 0.005°
γ	90°
Cell volume	2231.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247756 (current)	2020-02-04	cif/ Updating files of 1552936, 1552937 Original log message: Adding full bibliography for 1552936--1552937.cif.	1552937.cif
231069	2019-11-20	cif/ Adding structures of 1552936, 1552937 via cif-deposit CGI script.	1552937.cif