Information card for entry 7132511

Structure parameters

• Formula: C18 H31 F3 Li N O4 S
• Calculated formula: C18 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: 11.8035 ± 0.0003 Å
• b: 11.8153 ± 0.0002 Å
• c: 16.7982 ± 0.0003 Å
• α: 90°
• β: 104.459 ± 0.002°
• γ: 90°
• Cell volume: 2268.51 ± 0.08 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 7
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No