Information card for entry 4025297

Structure parameters

• Formula: C17 H12 N4
• Calculated formula: C17 H12 N4
• SMILES: N1=c2n(N=c3ccc(=Nc4ccccc4)cc13)cccc2
• Title of publication: One-Pot Synthesis of Linearly Fused N-Heterocyles from Their Angular Analogues and Studies of Their Redox and Electrochromic Properties
• Authors of publication: Mominul Sinan; Kumaresh Ghosh; Sreebrata Goswami
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 2065 - 2068
• a: 6.8173 ± 0.0012 Å
• b: 6.7934 ± 0.0012 Å
• c: 27.684 ± 0.005 Å
• α: 90°
• β: 93.392 ± 0.005°
• γ: 90°
• Cell volume: 1279.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1024
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No