Information card for entry 7127668

Structure parameters

• Formula: C18 H32 N2
• Calculated formula: C18 H32 N2
• Title of publication: Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.
• Authors of publication: Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 10
• Pages of publication: 1210 - 1213
• a: 11.3706 ± 0.0009 Å
• b: 8.1457 ± 0.0004 Å
• c: 18.6134 ± 0.0011 Å
• α: 90°
• β: 91.043 ± 0.007°
• γ: 90°
• Cell volume: 1723.72 ± 0.19 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 K
• Number of distinct elements: 3
• 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: 0.0859
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No