Information card for entry 7127664

Structure parameters

• Formula: C19 H34 N2
• Calculated formula: C19 H34 N2
• SMILES: N12C(=C3N(C(CC3(C)C)(C)C)CCC1)C(CC2(C)C)(C)C
• 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: 8.6542 ± 0.0003 Å
• b: 11.7196 ± 0.0005 Å
• c: 35.017 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3551.6 ± 0.2 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No