Information card for entry 7131596

Structure parameters

• Formula: C40 H64 N2
• Calculated formula: C40 H64 N2
• Title of publication: Reduction of 2-<i>H</i>-substituted pyrrolinium cations: the carbon-carbon single bond in air stable 2,2'-bipyrrolidines as a two-electron-source.
• Authors of publication: Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mandal, Debdeep; Das, Ayan; Ramakrishnan, Raghunathan; Mote, Kaustubh R.; Schulzke, Carola; Yildiz, Cem Burak; Jana, Anukul
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 44
• Pages of publication: 6698 - 6701
• a: 19.98 ± 0.002 Å
• b: 9.5392 ± 0.0008 Å
• c: 20.618 ± 0.003 Å
• α: 90°
• β: 115.474 ± 0.015°
• γ: 90°
• Cell volume: 3547.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.0855
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No