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Information card for entry 2017809
Preview
| Coordinates | 2017809.cif |
|---|---|
| Structure factors | 2017809.hkl |
| Original IUCr paper | HTML |
| Common name | L-His-L-Ser 3.7-hydrate |
|---|---|
| Chemical name | L-Histidyl-L-serine 3.7-hydrate |
| Formula | C9 H21.4 N4 O7.7 |
| Calculated formula | C9 H18 N4 O7.7 |
| Title of publication | <small>L</small>-Histidyl-<small>L</small>-serine 3.7-hydrate: water channels in the crystal structure of a polar dipeptide |
| Authors of publication | Görbitz, Carl Henrik |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o531 - o534 |
| a | 4.812 ± 0.003 Å |
| b | 15.505 ± 0.008 Å |
| c | 18.958 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1414.5 ± 1.4 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 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 | 0.0905 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1313 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180847 (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 2/01/78. |
2017809.cif 2017809.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2017809.cif 2017809.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017809.cif 2017809.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. | 2017809.cif 2017809.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017809.cif 2017809.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017809.cif 2017809.hkl |
| 4117 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017809 via cif-deposit CGI script. |
2017809.cif |
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Users of the data should acknowledge the original authors of the
structural data.