Crystallography Open Database

Information card for entry 2020946

2020945 << 2020946 >> 2020947

Preview

Coordinates	2020946.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Beta-alanine-DL-tartaric acid (1:1) (III)
Chemical name	Beta-alanine-DL-tartaric acid (1:1) (III)
Formula	C7 H13 N O8
Calculated formula	C7 H13 N O8
Title of publication	The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and <small>DL</small>-α-aminobutyric acid (AABA)
Authors of publication	Losev, Evgeniy; Boldyreva, Elena
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	2
a	4.9216 ± 0.0003 Å
b	8.5949 ± 0.0006 Å
c	12.1187 ± 0.0007 Å
α	108.61 ± 0.006°
β	97.243 ± 0.005°
γ	92.752 ± 0.005°
Cell volume	479.82 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
205401 (current)	2018-01-19	cif/ hkl/ Adding structures of 2020946, 2020947 via cif-deposit CGI script.	2020946.cif