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Information card for entry 2101963
Preview
| Coordinates | 2101963.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 6-ethyl-indole-3-acetic acid |
|---|---|
| Formula | C12 H13 N O2 |
| Calculated formula | C12 H13 N O2 |
| SMILES | OC(=O)Cc1c[nH]c2cc(ccc12)CC |
| Title of publication | Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin) |
| Authors of publication | Nigović, Biljana; Antolić, Snježana; Kojić-Prodić, Biserka; Kiralj, Rudolf; Magnus, Volker; Salopek, Branka |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 94 - 111 |
| a | 22.455 ± 0.001 Å |
| b | 5.286 ± 0.001 Å |
| c | 9.313 ± 0.001 Å |
| α | 90° |
| β | 110.89 ± 0.01° |
| γ | 90° |
| Cell volume | 1032.8 ± 0.2 Å3 |
| Cell temperature | 103 K |
| Ambient diffraction temperature | 103 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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