Information card for entry 7132512

Structure parameters

• Formula: C19 H31 F3 Li N O4 S
• Calculated formula: C19 H31 F3 Li N O4 S
• 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: 10.0875 ± 0.0003 Å
• b: 11.4427 ± 0.0004 Å
• c: 11.5307 ± 0.0004 Å
• α: 94.43 ± 0.003°
• β: 113.237 ± 0.003°
• γ: 109.486 ± 0.003°
• Cell volume: 1118.94 ± 0.08 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No