Information card for entry 7246068

Structure parameters

• Formula: C17 H16 Cl N3
• Calculated formula: C17 H16 Cl N3
• SMILES: Clc1cc2nc3cc(N4CCCCC4)ccc3nc2cc1
• Title of publication: Direct access to functional phenazines via oxidative annulation of anilines and o-phenylenediamines with a reusable cobalt catalyst
• Authors of publication: Liu, Qingqing; Ci, Chenggang; Zhao, He; Xie, Rong; Jiang, HuanFeng; Zhang, Min
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 678 - 683
• a: 6.7166 ± 0.0012 Å
• b: 9.3699 ± 0.0017 Å
• c: 12.656 ± 0.002 Å
• α: 68.667 ± 0.017°
• β: 79.026 ± 0.015°
• γ: 72.896 ± 0.016°
• Cell volume: 706 ± 0.2 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No