Information card for entry 2023124

Structure parameters

• Common name: 4-Hydroxy-<i>N</i>,<i>N</i>-dimethyltryptamine
• Chemical name: 3-[2-(Dimethylamino)ethyl]-1<i>H</i>-indol-4-ol
• Formula: C12 H16 N2 O
• Calculated formula: C12 H16 N2 O
• Title of publication: Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)
• Authors of publication: Zeller, Matthias; Parent, Stephan; Schultheiss, Nate
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• a: 9.5331 ± 0.0007 Å
• b: 8.9358 ± 0.0003 Å
• c: 14.0279 ± 0.0007 Å
• α: 90°
• β: 107.49 ± 0.007°
• γ: 90°
• Cell volume: 1139.73 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.2089
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No