Information card for entry 1546239

Structure parameters

• Formula: C21 H20 N2
• Calculated formula: C21 H20 N2
• SMILES: N12[C@@H](Cc3nc4ccccc4cc3[C@H]1C)c1c(CC2)cccc1.N12[C@H](Cc3nc4ccccc4cc3[C@@H]1C)c1c(CC2)cccc1
• Title of publication: Acetic Acid Promoted Redox Annulations with Dual C-H Functionalization.
• Authors of publication: Zhu, Zhengbo; Seidel, Daniel
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2841 - 2844
• a: 18.6655 ± 0.0011 Å
• b: 18.6655 ± 0.0011 Å
• c: 8.1126 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2447.8 ± 0.3 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 2 K
• Number of distinct elements: 3
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No