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Information card for entry 2238932
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Coordinates | 2238932.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Methyl <i>N</i>-(3-cyanopicolinoyl)-<i>L</i>-tryptophanate |
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Formula | C19 H16 N4 O3 |
Calculated formula | C19 H16 N4 O3 |
SMILES | O=C(N[C@H](C(=O)OC)Cc1c[nH]c2c1cccc2)c1ncccc1C#N |
Title of publication | Methyl <i>N</i>-(3-cyanopicolinoyl)-<small>L</small>-tryptophanate |
Authors of publication | Ovdiichuk, Olga; Hordiyenko, Olga; Voitenko, Zoia; Arrault, Axelle; Medviediev, Volodymyr |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 12 |
Pages of publication | o1810 |
a | 7.473 ± 0.002 Å |
b | 11.977 ± 0.004 Å |
c | 9.661 ± 0.003 Å |
α | 90° |
β | 91.01 ± 0.02° |
γ | 90° |
Cell volume | 864.6 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.108 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1068 |
Weighted residual factors for all reflections included in the refinement | 0.1328 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2238932.html
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