Information card for entry 2243315

Structure parameters

• Chemical name: Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)propan-2-ylazanium} but-2-enedioate
• Formula: C16 H22 N2 O3
• Calculated formula: C16 H22 N2 O3
• Title of publication: Bis(4-hydroxy-<i>N</i>-isopropyl-<i>N</i>-methyltryptammonium) fumarate: a new crystalline form of miprocin
• 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: 514 - 517
• a: 19.77 ± 0.013 Å
• b: 9.477 ± 0.006 Å
• c: 17.62 ± 0.012 Å
• α: 90°
• β: 105.78 ± 0.02°
• γ: 90°
• Cell volume: 3177 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0775
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes