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Information card for entry 2312557
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Coordinates | 2312557.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | <i>L</i>-Alanine |
---|---|
Formula | C3 H7 N O2 |
Calculated formula | C3 H7 N O2 |
Title of publication | TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules. |
Authors of publication | Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | Pt 7 |
Pages of publication | 264 - 277 |
a | 5.89 ± 0.07 Å |
b | 5.99 ± 0.11 Å |
c | 12.22 ± 0.08 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 431 ± 10 Å3 |
Cell temperature | 81 K |
Ambient diffraction temperature | 81 K |
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 for all reflections | 0.1907 |
Residual factor for significantly intense reflections | 0.1388 |
Weighted residual factors for significantly intense reflections | 0.3712 |
Weighted residual factors for all reflections included in the refinement | 0.4199 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1919 |
Diffraction radiation probe | electron |
Diffraction radiation wavelength | 0.0251 Å |
Diffraction radiation type | electron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2312557.html
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Users of the data should acknowledge the original authors of the
structural data.