Information card for entry 4134031

Structure parameters

• Formula: C26 H23 F N2 O
• Calculated formula: C26 H23 F N2 O
• SMILES: Fc1c2N([C@@]34C(=O)N(C[C@@H]3C[C@H]4c2ccc1)Cc1ccccc1)Cc1ccccc1.Fc1c2N([C@]34C(=O)N(C[C@H]3C[C@@H]4c2ccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis of Cyclobutane-Fused Tetracyclic Scaffolds via Visible-Light Photocatalysis for Building Molecular Complexity.
• Authors of publication: Oderinde, Martins S.; Mao, Edna; Ramirez, Antonio; Pawluczyk, Joseph; Jorge, Christine; Cornelius, Lyndon A. M.; Kempson, James; Vetrichelvan, Muthalagu; Pitchai, Manivel; Gupta, Anuradha; Gupta, Arun Kumar; Meanwell, Nicholas A.; Mathur, Arvind; Dhar, T. G. Murali
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.8897 ± 0.0001 Å
• b: 9.1212 ± 0.0001 Å
• c: 14.9717 ± 0.0002 Å
• α: 96.048 ± 0.001°
• β: 101.313 ± 0.001°
• γ: 106.5 ± 0.001°
• Cell volume: 998 ± 0.02 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No