Information card for entry 2220824

Structure parameters

• Chemical name: 2,2,7,7-Tetramethyl-1,2,3,6,7,8-hexahydrocinnolino[5,4,3-cde]cinnoline
• Formula: C16 H20 N4
• Calculated formula: C16 H20 N4
• SMILES: CC1(C)Cc2nnc3c4c2c(C1)nnc4CC(C3)(C)C
• Title of publication: 2,2,7,7-Tetramethyl-1,2,3,6,7,8-hexahydrocinnolino[5,4,3-<i>cde</i>]cinnoline
• Authors of publication: Peng, Ju-Hua; Hao, Wen-Juan; Tu, Shu-Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o238
• a: 12.819 ± 0.004 Å
• b: 8.441 ± 0.003 Å
• c: 13.31 ± 0.004 Å
• α: 90°
• β: 95.462 ± 0.005°
• γ: 90°
• Cell volume: 1433.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1079
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes