Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1542484
Preview
| Coordinates | 1542484.cif |
|---|---|
| Structure factors | 1542484.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>L</i>-Methionine‒succinic acid (2/1) |
|---|---|
| Formula | C14 H28 N2 O8 S2 |
| Calculated formula | C14 H28 N2 O8 S2 |
| SMILES | C(=O)(CCC(=O)O)O.C(=O)([C@H](CCSC)[NH3+])[O-].C(=O)([C@H](CCSC)[NH3+])[O-] |
| Title of publication | <small>L</small>-Methionine‒succinic acid (2/1) |
| Authors of publication | Nageshwari, M.; Kumaresan, S.; Caroline, M. Lydia; Mani, G.; Kumari, C. Rathika Thaya; Sudha, S.; Jayaprakash, P. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x152459 |
| a | 5.0283 ± 0.0004 Å |
| b | 5.058 ± 0.0004 Å |
| c | 20.8394 ± 0.0018 Å |
| α | 86.645 ± 0.002° |
| β | 83.338 ± 0.003° |
| γ | 68.908 ± 0.005° |
| Cell volume | 491.08 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1697 |
| Weighted residual factors for all reflections included in the refinement | 0.1711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542484.cif 1542484.hkl |
| 177533 | 2016-03-04 | cif/ Updating files of 1542484 Original log message: Adding full bibliography for 1542484.cif. |
1542484.cif 1542484.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542484.cif 1542484.hkl |
| 176540 | 2016-02-17 | cif/ hkl/ Adding structures of 1542484 via cif-deposit CGI script. |
1542484.cif 1542484.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.