Information card for entry 1557817

Structure parameters

• Common name: <i>N</i>,<i>N</i>-Diallyl-5-methoxytryptamine
• Chemical name: <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-amine
• Formula: C17 H22 N2 O
• Calculated formula: C17 H22 N2 O
• SMILES: O(c1ccc2[nH]cc(c2c1)CCN(CC=C)CC=C)C
• Title of publication: 5-MeO-DALT: the freebase of N,N-diallyl-5-methoxytryptamine
• Authors of publication: Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 4
• a: 6.1444 ± 0.0006 Å
• b: 12.8514 ± 0.0013 Å
• c: 19.3315 ± 0.0019 Å
• α: 90°
• β: 91.626 ± 0.003°
• γ: 90°
• Cell volume: 1525.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1057
• 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