Crystallography Open Database

Information card for entry 1567991

Preview

Coordinates	1567991.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	GHG
Chemical name	Gly-Ala-Gly
Mineral name	Gly-His-Gly
Formula	C10 H17 N5 O5
Calculated formula	C10 H17 N5 O5
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	11.7071 ± 0.0007 Å
b	4.7121 ± 0.0002 Å
c	12.4111 ± 0.0008 Å
α	90°
β	104.951 ± 0.006°
γ	90°
Cell volume	661.48 ± 0.07 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	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor R(I) for significantly intense reflections	0.02067
Goodness-of-fit parameter for all reflections	2.376
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.	1567991.cif
279415	2022-11-19	cif/ Adding structures of 1567989, 1567990, 1567991, 1567992 via cif-deposit CGI script.	1567991.cif