Information card for entry 1566768

Structure parameters

• Common name: Bis(oxotremorine) fumarate bis(fumaric acid)
• Chemical name: 1-[4-(2-Oxopyrrolidin-1-yl)but-2-ynyl]pyrrolidinium (2<i>E</i>)-but-2-enedioate bis[(2<i>E</i>)-but-2-enedioic acid]
• Formula: C36 H48 N4 O14
• Calculated formula: C36 H48 N4 O14
• Title of publication: Bis(oxotremorine) fumarate bis(fumaric acid)
• Authors of publication: Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 4
• a: 6.0921 ± 0.0003 Å
• b: 8.5778 ± 0.0005 Å
• c: 18.726 ± 0.0011 Å
• α: 94.922 ± 0.002°
• β: 90.428 ± 0.002°
• γ: 98.945 ± 0.002°
• Cell volume: 962.88 ± 0.09 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: 0.0545
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes