Information card for entry 2243056

Structure parameters

• Common name: 4-Hydroxy-<i>N</i>-isopropyl-<i>N</i>-methyltryptaminium fumarate monohydrate
• Chemical name: [2-(4-Hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)propan-2-ylazanium 3-carboxyprop-2-enoate monohydrate
• Formula: C18 H26 N2 O6
• Calculated formula: C18 H26 N2 O6
• 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: 29.507 ± 0.003 Å
• b: 8.7445 ± 0.0008 Å
• c: 17.3659 ± 0.0018 Å
• α: 90°
• β: 123.389 ± 0.003°
• γ: 90°
• Cell volume: 3741.3 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.01 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes