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Information card for entry 2241019
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| Coordinates | 2241019.cif |
|---|---|
| Structure factors | 2241019.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>L</i>-Tryptophan‒fumaric acid‒water (1/1/1) |
|---|---|
| Formula | C15 H18 N2 O7 |
| Calculated formula | C15 H18 N2 O7 |
| SMILES | [nH]1cc(C[C@H]([NH3+])C(=O)[O-])c2c1cccc2.O=C(O)/C=C/C(=O)O.O |
| Title of publication | Crystal structure of <small>L</small>-tryptophan‒fumaric acid‒water (1/1/1) |
| Authors of publication | Caroline, M. Lydia; Kumaresan, S.; Aravindan, P. G.; Mohamed, M. Peer; Mani, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | o661 - o662 |
| a | 11.3928 ± 0.0008 Å |
| b | 6.6476 ± 0.0004 Å |
| c | 21.4219 ± 0.0013 Å |
| α | 90° |
| β | 95.801 ± 0.003° |
| γ | 90° |
| Cell volume | 1614.07 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241019.cif 2241019.hkl |
| 153464 | 2015-08-16 | cif/ hkl/ Adding structures of 2241019 via cif-deposit CGI script. |
2241019.cif 2241019.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.