Information card for entry 2243786

Structure parameters

• Common name: Bis(<i>N</i>,<i>N</i>-diallyl-5-methoxytryptammonium) fumarate
• Chemical name: Bis{<i>N</i>-[2-(5-methoxy-1<i>H</i>-indol-3-yl)ethyl]- <i>N</i>-(prop-2-en-1-yl)prop-2-en-1-aminium} (<i>E</i>)-but-2-enedioate
• Formula: C19 H24 N2 O3
• Calculated formula: C19 H24 N2 O3
• Title of publication: `Foxtrot' fumarate: a water-soluble salt of <i>N</i>,<i>N</i>-diallyl-5-methoxytryptamine (5-MeO-DALT)
• Authors of publication: Pham, Duyen N. K.; Sammeta, Vamshikrishna Reddy; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 416 - 419
• a: 7.8791 ± 0.0007 Å
• b: 9.2908 ± 0.0007 Å
• c: 13.5352 ± 0.0011 Å
• α: 108.081 ± 0.003°
• β: 104.365 ± 0.003°
• γ: 95.903 ± 0.003°
• Cell volume: 894.87 ± 0.13 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.15 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: 0.0529
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes