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Information card for entry 2244175
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| Coordinates | 2244175.cif |
|---|---|
| Structure factors | 2244175.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-[(3-{2-[Bis(propan-2-yl)azaniumyl]ethyl}-1<i>H</i>-indol-4-yl)oxy]-5-oxopentanoate ethanol monosolvate |
|---|---|
| Formula | C23 H36 N2 O5 |
| Calculated formula | C23 H36 N2 O5 |
| Title of publication | The methanol and ethanol solvates of 4-glutarato-<i>N</i>,<i>N</i>-diisopropyltryptamine |
| Authors of publication | Naeem, Marilyn; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 10 |
| a | 8.0087 ± 0.0012 Å |
| b | 13.7968 ± 0.0017 Å |
| c | 21.878 ± 0.003 Å |
| α | 90° |
| β | 90.749 ± 0.004° |
| γ | 90° |
| Cell volume | 2417.2 ± 0.6 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297.15 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 | 0.0902 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.154 |
| Weighted residual factors for all reflections included in the refinement | 0.176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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