Information card for entry 7132505

Structure parameters

• Formula: C24 H40 F6 N2 O6 S2
• Calculated formula: C24 H40 F6 N2 O6 S2
• Title of publication: Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.
• Authors of publication: Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 13
• Pages of publication: 1739 - 1742
• a: 22.6531 ± 0.0009 Å
• b: 10.6359 ± 0.0004 Å
• c: 13.5057 ± 0.0005 Å
• α: 90°
• β: 112.83 ± 0.004°
• γ: 90°
• Cell volume: 2999.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No