Information card for entry 7151072

Structure parameters

• Formula: C52 H42 N2
• Calculated formula: C52 H42 N2
• SMILES: c1(c2c(c3c(CC2)cccc3)nc(c1)c1ccccc1)c1ccc(cc1)C.c1(c2c(c3c(CC2)cccc3)nc(c1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Microwave-assisted four-component, one-pot condensation reaction: an efficient synthesis of annulated pyridines.
• Authors of publication: Yan, Chao-Guo; Cai, Xi-Mei; Wang, Qi-Fang; Wang, Ting-Yu; Zheng, Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 945 - 951
• a: 10.7313 ± 0.0014 Å
• b: 10.8332 ± 0.0014 Å
• c: 17.189 ± 0.002 Å
• α: 91.122 ± 0.002°
• β: 101.774 ± 0.002°
• γ: 99.739 ± 0.002°
• Cell volume: 1925 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.111
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No