Information card for entry 1569849

Structure parameters

• Common name: Bis(4-acetoxy-<i>N</i>-ethyl-<i>N</i>-<i>n</i>-propyltryptammonium) fumarate–fumaric acid (1/1)
• Chemical name: Bis{[2-(4-acetyloxy-1<i>H</i>-indol-3-yl)ethyl](ethyl)propylazanium} but-2-enedioate–(<i>E</i>)-butenedioic acid (1/1)
• Formula: C21 H28 N2 O6
• Calculated formula: C21 H28 N2 O6
• Title of publication: Bis(4-acetoxy-N-ethyl-N-n-propyltryptammonium) fumarate–fumaric acid (1/1)
• Authors of publication: Pham, Duyen N. K.; Sackett, Nathan B.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 9
• a: 8.7642 ± 0.0008 Å
• b: 10.8653 ± 0.0009 Å
• c: 12.6564 ± 0.0011 Å
• α: 65.094 ± 0.003°
• β: 75.354 ± 0.003°
• γ: 76.718 ± 0.003°
• Cell volume: 1047.12 ± 0.16 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: 0.0751
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No