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Information card for entry 1543509
Preview
| Coordinates | 1543509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 N3 O3 |
|---|---|
| Calculated formula | C13 N3 O3 |
| SMILES | O=C(OC)N1[C@@H](C[C@@H]2c3ccccc3N[C@H]12)C(=O)N |
| Title of publication | Cyclisations of Tryptophans. IV. Cyclisation of Nb-Acyl-L-Tryptophanamides |
| Authors of publication | Holst, Pia Bachmann; Anthoni, Uffe; Christophersen, Carsten; Larsen, Sine; Nielsen, Per Halfdan; Puschl, Ask |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1998 |
| Journal volume | 52 |
| Pages of publication | 683 - 693 |
| a | 8.554 ± 0.004 Å |
| b | 10.499 ± 0.002 Å |
| c | 13.389 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1202.4 ± 0.7 Å3 |
| Ambient diffraction temperature | 122 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 | 0.0304 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183884 (current) | 2016-06-23 | cif/ Adding structures of 1543509 via cif-deposit CGI script. |
1543509.cif |
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Users of the data should acknowledge the original authors of the
structural data.