Information card for entry 7135824

Structure parameters

• Formula: C18 H18 F N O
• Calculated formula: C18 H18 F N O
• Title of publication: Sodium Borohydride: Repurposing From Reducing Agent to Reductive Cyclization Reagent for N-(2-Iodoaryl)Acrylamides
• Authors of publication: Sihag, Naveen; Ahirwar, Mini Bharati; Kumar, Ankit; Hafeez, Saleem; Deshmukh, Milind M.; Yadav, M. Ramu
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 8.8231 ± 0.0003 Å
• b: 18.1789 ± 0.0006 Å
• c: 9.084 ± 0.0002 Å
• α: 90°
• β: 97.691 ± 0.001°
• γ: 90°
• Cell volume: 1443.91 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1357
• 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: Yes
• Has Fobs: No