Information card for entry 7159867

Structure parameters

• Formula: C61 H40 N8 O
• Calculated formula: C61 H40 N8 O
• Title of publication: DMSO Promoted Catalyst-free Oxidative C-N/C-O Couplings towards Synthesis of Imidazoles and Oxazoles
• Authors of publication: Bera, Debasish; Sarkar, Rajib; Dhar, Tiyasa; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 9.5461 ± 0.0005 Å
• b: 11.3648 ± 0.0006 Å
• c: 13.2742 ± 0.0008 Å
• α: 66.284 ± 0.002°
• β: 72.713 ± 0.002°
• γ: 85.367 ± 0.002°
• Cell volume: 1257.7 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0817
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No