Information card for entry 7132513

Structure parameters

• Formula: C50 H60 N2 O2
• Calculated formula: C50 H60 N2 O2
• 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: 13.0791 ± 0.0002 Å
• b: 12.0402 ± 0.0001 Å
• c: 12.4424 ± 0.0001 Å
• α: 90°
• β: 92.773 ± 0.001°
• γ: 90°
• Cell volume: 1957.07 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No