Crystallography Open Database

Information card for entry 1567989

Preview

Coordinates	1567989.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	GAG
Chemical name	Gly-Ala-Gly
Formula	C7 H13 N3 O4
Calculated formula	C7 H13 N3 O4
Title of publication	Influence of central sidechain on self-assembly of glycine-x-glycine peptides.
Authors of publication	Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.
Journal of publication	Soft matter
Year of publication	2023
Journal volume	19
Journal issue	3
Pages of publication	394 - 409
a	12.4827 ± 0.0002 Å
b	16.0047 ± 0.0003 Å
c	4.74526 ± 0.00007 Å
α	90°
β	90°
γ	90°
Cell volume	948.02 ± 0.03 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Cell measurement pressure	100 kPa
Ambient diffracton pressure	100 kPa
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor R(I) for significantly intense reflections	0.00813
Goodness-of-fit parameter for all reflections	1.395
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281617 (current)	2023-03-04	cif/ Updating files of 1567989, 1567990, 1567991, 1567992 Original log message: Adding full bibliography for 1567989--1567992.cif.	1567989.cif
279415	2022-11-19	cif/ Adding structures of 1567989, 1567990, 1567991, 1567992 via cif-deposit CGI script.	1567989.cif