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Information card for entry 2104691
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| Coordinates | 2104691.cif |
|---|---|
| Structure factors | 2104691.hkl |
| Original IUCr paper | HTML |
| Common name | L-Abu |
|---|---|
| Chemical name | (S)-2-aminobutyric acid |
| Formula | C4 H9 N O2 |
| Calculated formula | C4 H9 N O2 |
| SMILES | O=C([O-])[C@@H]([NH3+])CC |
| Title of publication | <small>L</small>-2-Aminobutyric acid: two fully ordered polymorphs with <i>Z</i>' = 4 |
| Authors of publication | Görbitz, Carl Henrik |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 2 |
| Pages of publication | 253 - 259 |
| a | 9.614 ± 0.006 Å |
| b | 5.227 ± 0.003 Å |
| c | 21.385 ± 0.013 Å |
| α | 90° |
| β | 100.326 ± 0.007° |
| γ | 90° |
| Cell volume | 1057.2 ± 1.1 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Cell measurement pressure | 101 ± 1 kPa |
| 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1619 |
| Weighted residual factors for all reflections included in the refinement | 0.1647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180905 (current) | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/46. |
2104691.cif 2104691.hkl |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2104691.cif 2104691.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2104691.cif 2104691.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2104691.cif 2104691.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104691.cif 2104691.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2104691.cif 2104691.hkl |
| 1146 | 2010-05-03 | cif/2/ Adding CIFs from the recent Acta Cryst. B, C and J. Appl. Cryst. deposition. |
2104691.cif |
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