Information card for entry 2243055

Structure parameters

• Common name: <i>N</i>-Isopropyl-<i>N</i>-methyltryptaminium fumarate
• Chemical name: [2-(1<i>H</i>-Indol-3-yl)ethyl](methyl)propan-2-ylazanium 3-carboxyprop-2-enoate
• Formula: C18 H24 N2 O4
• Calculated formula: C18 H24 N2 O4
• Title of publication: The fumarate salts of the <i>N</i>-isopropyl-<i>N</i>-methyl derivatives of DMT and psilocin
• Authors of publication: Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 9
• Pages of publication: 1316 - 1320
• a: 9.852 ± 0.002 Å
• b: 12.789 ± 0.002 Å
• c: 14.875 ± 0.003 Å
• α: 90°
• β: 106.932 ± 0.007°
• γ: 90°
• Cell volume: 1793 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes