Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019704
Preview
| Coordinates | 2019704.cif |
|---|---|
| Structure factors | 2019704.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>tert</i>-Butyl <i>N</i>-benzyloxycarbonyl-α-aminoisobutyryl-α-aminoisobutyryl-α-aminoisobutyrylglycine 0.075-hydrate |
|---|---|
| Formula | C26 H40 N4 O7.075 |
| Calculated formula | C26 H40 N4 O7.075 |
| Title of publication | The achiral tetrapeptide <i>Z</i>-Aib-Aib-Aib-Gly-OtBu |
| Authors of publication | Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 1046 - 1049 |
| a | 12.7399 ± 0.0008 Å |
| b | 15.6208 ± 0.0009 Å |
| c | 21.589 ± 0.0013 Å |
| α | 121.63 ± 0.0016° |
| β | 97.8306 ± 0.0019° |
| γ | 116.728 ± 0.0017° |
| Cell volume | 2849.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019704.cif 2019704.hkl |
| 180865 | 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 2/01/97. |
2019704.cif 2019704.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. |
2019704.cif 2019704.hkl |
| 128095 | 2014-12-04 | cif/ Updating files of 2019704 Original log message: Adding full bibliography for 2019704.cif. |
2019704.cif 2019704.hkl |
| 125432 | 2014-10-16 | cif/ hkl/ Adding structures of 2019704 via cif-deposit CGI script. |
2019704.cif 2019704.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.