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Information card for entry 2019085
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| Coordinates | 2019085.cif |
|---|---|
| Structure factors | 2019085.hkl |
| Original IUCr paper | HTML |
| Common name | Abu-Ser, N-(L-2-aminobutyryl)-L-serine |
|---|---|
| Chemical name | (<i>S</i>)-2-[(<i>S</i>)-2-Azaniumylbutanamido]-3-hydroxypropanoate |
| Formula | C7 H14 N2 O4 |
| Calculated formula | C7 H14 N2 O4 |
| Title of publication | An unexpected tetragonal unit cell for <i>N</i>-(<small>L</small>-2-aminobutyryl)-<small>L</small>-serine |
| Authors of publication | Görbitz, Carl Henrik; Yadav, Vitthal N. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | 888 - 891 |
| a | 18.335 ± 0.007 Å |
| b | 18.335 ± 0.007 Å |
| c | 5.141 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1728.3 ± 1.2 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 79 |
| Hermann-Mauguin space group symbol | I 4 |
| Hall space group symbol | I 4 |
| Residual factor for all reflections | 0.0863 |
| Residual factor for significantly intense reflections | 0.08 |
| Weighted residual factors for significantly intense reflections | 0.1922 |
| Weighted residual factors for all reflections included in the refinement | 0.195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.301 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/90. |
2019085.cif 2019085.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019085.cif 2019085.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019085.cif 2019085.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019085.cif 2019085.hkl |
| 88264 | 2013-09-04 | cif/ Adding structures of 2019085 via cif-deposit CGI script. |
2019085.cif |
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