Crystallography Open Database

Information card for entry 7155049

Preview

Coordinates	7155049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H104 N8 O14
Calculated formula	C58 H104 N8 O14
Title of publication	Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.
Authors of publication	Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	17
Pages of publication	4089 - 4102
a	20.9 ± 0.004 Å
b	12.965 ± 0.003 Å
c	23.973 ± 0.005 Å
α	90°
β	100.04 ± 0.03°
γ	90°
Cell volume	6396 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1738
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
182790 (current)	2016-05-06	cif/ Updating files of 7155047, 7155048, 7155049 Original log message: Adding full bibliography for 7155047--7155049.cif.	7155049.cif
179706	2016-03-25	cif/ Adding structures of 7155049 via cif-deposit CGI script.	7155049.cif