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Information card for entry 4512893
Preview
Coordinates | 4512893.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C2 H5 N O2 |
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Calculated formula | C2 H5 N O2 |
SMILES | [O-]C(=O)C[NH3+] |
Title of publication | Non-Topotactic Phase Transformations in Single Crystals of β-Glycine |
Authors of publication | Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 6 |
Pages of publication | 2568 |
a | 7.037 ± 0.009 Å |
b | 7.037 ± 0.009 Å |
c | 5.483 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 235.1 ± 0.5 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 144 |
Hermann-Mauguin space group symbol | P 31 |
Hall space group symbol | P 31 |
Residual factor for all reflections | 0.0282 |
Residual factor for significantly intense reflections | 0.0256 |
Weighted residual factors for significantly intense reflections | 0.0579 |
Weighted residual factors for all reflections included in the refinement | 0.0591 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
138058 (current) | 2015-06-05 | cif/ Updating files of 4512893, 4512999, 4513000, 4513001, 4513002 Original log message: Adding full bibliography for 4512893--4513002.cif. |
4512893.cif |
135775 | 2015-05-09 | cif/ Adding structures of 4512893 via cif-deposit CGI script. |
4512893.cif |
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Users of the data should acknowledge the original authors of the
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