Information card for entry 4025395

Structure parameters

• Formula: C26 H18 N2
• Calculated formula: C26 H18 N2
• SMILES: n1cc2cccc(c2cc1)c1c(cccc1c1c(ccnc1)C#CC)C#CC
• Title of publication: Synthesis of 2-Aza[6]helicene and Attempts To Synthesize 2,14-Diaza[6]helicene Utilizing Metal-Catalyzed Cycloisomerization
• Authors of publication: Jan Storch; Jan Čermák; Jindřich Karban; Ivana Císařová; Jan Sýkora
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3137 - 3140
• a: 10.0297 ± 0.0002 Å
• b: 10.3403 ± 0.0002 Å
• c: 10.7915 ± 0.0002 Å
• α: 109.31 ± 0.001°
• β: 110.16 ± 0.001°
• γ: 95.922 ± 0.001°
• Cell volume: 961.27 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No