Information card for entry 1565140

Structure parameters

• Formula: C26 H24 Br Mn N2 O3 P
• Calculated formula: C26 H24 Br Mn N2 O3 P
• SMILES: [Mn]12([P](c3ccccc3)(c3ccccc3)CCN2C2CCCc3ccc[n]1c23)(C#[O])(C#[O])C#[O].[Br-]
• Title of publication: Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)
• Authors of publication: Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 8026 - 8036
• a: 9.1878 ± 0.0018 Å
• b: 28.171 ± 0.006 Å
• c: 10.117 ± 0.002 Å
• α: 90°
• β: 105.67 ± 0.03°
• γ: 90°
• Cell volume: 2521.3 ± 1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• 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: 0.082
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No