Information card for entry 2243331

Structure parameters

• Common name: 4-Hydroxy-<i>N</i>-methyltryptammonium fumarate
• Chemical name: Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl]methylazanium} but-2-enedioate
• Formula: C13 H16 N2 O3
• Calculated formula: C13 H16 N2 O3
• Title of publication: Norpsilocin: freebase and fumarate salt
• 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: 2020
• Journal volume: 76
• Journal issue: 4
• Pages of publication: 589 - 593
• a: 7.7363 ± 0.001 Å
• b: 9.7146 ± 0.0012 Å
• c: 9.7854 ± 0.0013 Å
• α: 105.524 ± 0.004°
• β: 110.554 ± 0.004°
• γ: 97.167 ± 0.004°
• Cell volume: 643.69 ± 0.15 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: 0.0391
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes