Information card for entry 2243808

Structure parameters

• Common name: Bis(5-methoxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium) fumarate
• Chemical name: Bis{<i>N</i>-[2-(5-methoxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-propylpropan-1-aminium}; but-2-enedioate
• Formula: C19 H28 N2 O3
• Calculated formula: C19 H28 N2 O3
• Title of publication: 5-Methoxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine (5-MeO-DPT): freebase and fumarate
• Authors of publication: Pham, Duyen N. K.; 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: 5
• Pages of publication: 522 - 526
• a: 9.2956 ± 0.0006 Å
• b: 9.4443 ± 0.0006 Å
• c: 12.7427 ± 0.0008 Å
• α: 78.552 ± 0.002°
• β: 75.929 ± 0.002°
• γ: 60.806 ± 0.002°
• Cell volume: 943.06 ± 0.11 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: 0.0619
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes