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Information card for entry 1577465
Preview
| Coordinates | 1577465.cif |
|---|---|
| Structure factors | 1577465.hkl |
| Original IUCr paper | HTML |
| Formula | C4 H7 N O4 |
|---|---|
| Calculated formula | C4 H7 N O4 |
| Title of publication | Twinned L-aspartic acid |
| Authors of publication | Lutz, Martin |
| Journal of publication | IUCrData |
| Year of publication | 2025 |
| Journal volume | 10 |
| Journal issue | 10 |
| Pages of publication | 0 - 0 |
| a | 5.1237 ± 0.0002 Å |
| b | 6.9197 ± 0.0003 Å |
| c | 7.6006 ± 0.0004 Å |
| α | 90° |
| β | 100.442 ± 0.002° |
| γ | 90° |
| Cell volume | 265.01 ± 0.02 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 K |
| 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 for all reflections | 0.0264 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0681 |
| Weighted residual factors for all reflections included in the refinement | 0.0685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0547 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306693 (current) | 2026-07-09 | cif/ hkl/ Adding structures of 1577465, 1577466 via cif-deposit CGI script. |
1577465.cif 1577465.hkl |
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Users of the data should acknowledge the original authors of the
structural data.