Information card for entry 2242962

Structure parameters

• Common name: Bis(4-acetoxy-<i>N</i>,<i>N</i>-dimethyltryptammonium) fumarate
• Chemical name: Bis{2-[4-(acetyloxy)-1<i>H</i>-indol-3-yl]ethan-1-aminium} but-2-enedioate
• Formula: C32 H40 N4 O8
• Calculated formula: C32 H40 N4 O8
• Title of publication: Bis(4-acetoxy-<i>N</i>,<i>N</i>-dimethyltryptammonium) fumarate: a new crystalline form of psilacetin, an alternative to psilocybin as a psilocin prodrug
• Authors of publication: Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 900 - 902
• a: 8.3965 ± 0.0013 Å
• b: 8.9879 ± 0.0014 Å
• c: 12.0126 ± 0.0016 Å
• α: 101.73 ± 0.005°
• β: 100.818 ± 0.005°
• γ: 112.463 ± 0.005°
• Cell volume: 784.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes