Crystallography Open Database

Information card for entry 4107929

Preview

Coordinates	4107929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H48 N5 O6
Calculated formula	C25.5 H48 N5 O6
Title of publication	Diacid Linkers That Promote Parallel β-Sheet Secondary Structure in Water
Authors of publication	Felix Freire; John D. Fisk; Aaron J. Peoples; Monika Ivancic; Ilia A. Guzei; Samuel H. Gellman
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7839 - 7841
a	22.321 ± 0.002 Å
b	10.7863 ± 0.0011 Å
c	12.3575 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2975.2 ± 0.5 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 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	0.04
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4107929.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107929.cif
56255	2012-05-09	cif/ Adding structures of 4107929 via cif-deposit CGI script.	4107929.cif