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Information card for entry 1559019
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| Coordinates | 1559019.cif |
|---|---|
| Structure factors | 1559019.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 1<i>H</i>-indole-2-carboxylate |
|---|---|
| Formula | C11 H11 N O2 |
| Calculated formula | C11 H11 N O2 |
| SMILES | O(C(=O)c1[nH]c2c(c1)cccc2)CC |
| Title of publication | Ethyl 1<i>H</i>-indole-2-carboxylate |
| Authors of publication | Lynch, Will E.; Whitlock, Christine R.; Padgett, Clifford W. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | x201205 |
| a | 5.5622 ± 0.0007 Å |
| b | 18.891 ± 0.002 Å |
| c | 9.6524 ± 0.0013 Å |
| α | 90° |
| β | 104.454 ± 0.013° |
| γ | 90° |
| Cell volume | 982.1 ± 0.2 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 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 all reflections | 0.1062 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256245 (current) | 2020-09-09 | cif/ hkl/ Adding structures of 1559019 via cif-deposit CGI script. |
1559019.cif 1559019.hkl |
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