Information card for entry 1552864

Structure parameters

• Chemical name: Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl]bis(propan-2-yl)azanium} but-2-enedioate tetrahydrate
• Formula: C18 H30 N2 O5
• Calculated formula: C18 H30 N2 O5
• Title of publication: Bis(4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium) fumarate tetrahydrate
• Authors of publication: Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 11
• Pages of publication: x191469
• a: 8.3495 ± 0.0008 Å
• b: 12.5138 ± 0.0011 Å
• c: 18.6631 ± 0.0017 Å
• α: 90°
• β: 100.902 ± 0.003°
• γ: 90°
• Cell volume: 1914.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes