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Information card for entry 2020947
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Coordinates | 2020947.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | DL-2-aminobutyric acid-DL-tartaric acid (1:1) |
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Chemical name | DL-2-aminobutyric acid-DL-tartaric acid (1:1) |
Formula | C8 H15 N O8 |
Calculated formula | C8 H15 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 | 4.9336 ± 0.0002 Å |
b | 10.0324 ± 0.0007 Å |
c | 11.3232 ± 0.0007 Å |
α | 103.464 ± 0.006° |
β | 94.31 ± 0.005° |
γ | 99.766 ± 0.005° |
Cell volume | 533.29 ± 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 | 0.0401 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0818 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2020947.html
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